CAS RN: 69011-30-9
CAS Name: 1,3-diisocyanato-2-methylbenzene; ethanol; hexanedioic acid; 2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; ethanol; 2-hydroxyethyl prop-2-enoate
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate
MOLECULAR FORMULA: C22H30N2O10
MOLECULAR WEIGHT: 482.481
SMILES: CCO.CC1=C(C=CC=C1N=C=O)N=C=O.C=CC(=O)OCCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 69011-21-8
CAS Name: ammonia; 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; styrene
OPENEYE Name: ammonia; 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; styrene
IUPAC Name: azane; 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; styrene
SYSTEMATIC NAME: azane; 1,2-bis(ethenyl)benzene; ethenylbenzene; 1-ethenyl-2-ethyl-benzene
MOLECULAR FORMULA: C28H33N
MOLECULAR WEIGHT: 383.56832
SMILES: CCC1=CC=CC=C1C=C.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C.N
Structure:
CAS RN: 69011-19-4
CAS Name: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; 1-ethenyl-2-ethylbenzene; styrene
OPENEYE Name: N,N-dimethylmethanamine; 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; 1-ethenyl-2-ethylbenzene; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; ethenylbenzene; 1-ethenyl-2-ethyl-benzene
MOLECULAR FORMULA: C31H39N
MOLECULAR WEIGHT: 425.64806
SMILES: CCC1=CC=CC=C1C=C.CN(C)C.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 69011-18-3
CAS Name: 1,2-bis(ethenyl)benzene; dimethylaminomethanol; 1-ethenyl-2-ethylbenzene; styrene
OPENEYE Name: dimethylaminomethanol; 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; dimethylaminomethanol; 1-ethenyl-2-ethylbenzene; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; dimethylaminomethanol; ethenylbenzene; 1-ethenyl-2-ethyl-benzene
MOLECULAR FORMULA: C31H39NO
MOLECULAR WEIGHT: 441.64746
SMILES: CCC1=CC=CC=C1C=C.CN(C)CO.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 69011-17-2
CAS Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; N-methylmethanamine; styrene
OPENEYE Name: 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; N-methylmethanamine; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; N-methylmethanamine; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; ethenylbenzene; 1-ethenyl-2-ethyl-benzene; N-methylmethanamine
MOLECULAR FORMULA: C30H37N
MOLECULAR WEIGHT: 411.62148
SMILES: CCC1=CC=CC=C1C=C.CNC.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 69011-16-1
CAS Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethane-1,1-diol; 1-ethenyl-2-ethylbenzene; styrene
OPENEYE Name: 2-(dimethylamino)ethane-1,1-diol; 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethane-1,1-diol; 1-ethenyl-2-ethylbenzene; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethane-1,1-diol; ethenylbenzene; 1-ethenyl-2-ethyl-benzene
MOLECULAR FORMULA: C32H41NO2
MOLECULAR WEIGHT: 471.67344
SMILES: CCC1=CC=CC=C1C=C.CN(C)CC(O)O.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 5990-35-2
CAS Name: zirconium carbonate pentahydrate
OPENEYE Name: zirconium carbonate pentahydrate
IUPAC Name: zirconium carbonate pentahydrate
SYSTEMATIC NAME: zirconium carbonate pentahydrate
MOLECULAR FORMULA: CH10O8Zr3-2
MOLECULAR WEIGHT: 423.7573
SMILES: C(=O)([O-])[O-].O.O.O.O.O.[Zr].[Zr].[Zr]
Structure:
CAS RN: 69011-10-5
CAS Name: zirconium carbonate pentahydrate
OPENEYE Name: zirconium carbonate pentahydrate
IUPAC Name: zirconium carbonate pentahydrate
SYSTEMATIC NAME: zirconium carbonate pentahydrate
MOLECULAR FORMULA: CH10O8Zr3-2
MOLECULAR WEIGHT: 423.7573
SMILES: C(=O)([O-])[O-].O.O.O.O.O.[Zr].[Zr].[Zr]
Structure:
CAS RN: 69011-05-8
CAS Name: nickel; titanium; tungsten; heptatetracontahydrate
OPENEYE Name: nickel; titanium; tungsten; heptatetracontahydrate
IUPAC Name: nickel; titanium; tungsten; heptatetracontahydrate
SYSTEMATIC NAME: nickel; titanium; tungsten; heptatetracontahydrate
MOLECULAR FORMULA: H94NiO47Ti20W2
MOLECULAR WEIGHT: 2230.43156
SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ti].[Ni].[W].[W]
Structure:
CAS RN: 68992-20-1
CAS Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonato-2-naphthalenyl)azo]naphthalene-2,7-disulfonate
OPENEYE Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonato-2-naphthyl)azo]naphthalene-2,7-disulfonate
IUPAC Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: copper tetrasodium 5-[[4-chloranyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanidyl-3-[(1-oxidanidyl-4,8-disulfonato-naphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C30H16ClCuN7Na4O14S4
MOLECULAR WEIGHT: 1017.70462
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=CC(=C6C=CC=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 68992-14-3
CAS Name: 1-ethenyl-2-pyrrolidinone; 2-methyl-2-propenoic acid 2-(diethylamino)ethyl ester; 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-(diethylamino)ethyl 2-methylprop-2-enoate; dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 1-vinylpyrrolidin-2-one
IUPAC Name: 2-(diethylamino)ethyl 2-methylprop-2-enoate; dodecyl 2-methylprop-2-enoate; 1-ethenylpyrrolidin-2-one; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-methylprop-2-enoate; dodecyl 2-methylprop-2-enoate; 1-ethenylpyrrolidin-2-one; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C37H66N2O7
MOLECULAR WEIGHT: 650.92914
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C.CCN(CC)CCOC(=O)C(=C)C.CC(=C)C(=O)OC.C=CN1CCCC1=O
Structure:
CAS RN: 68992-02-9
CAS Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthalenyl]azo]-7-sulfonato-1-naphthalenyl]azo]naphthalene-1,5-disulfonate
OPENEYE Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]naphthalene-1,5-disulfonate
IUPAC Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
SYSTEMATIC NAME: tetrasodium 3-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C33H18ClN9Na4O12S4
MOLECULAR WEIGHT: 988.2212
SMILES: C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 68991-91-3
CAS Name: tetrasodium; 7-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]-3-methylanilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: tetrasodium; 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: tetrasodium; 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: tetrasodium; 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C39H35N7Na4O15S4
MOLECULAR WEIGHT: 1061.95218
SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 68988-58-9
CAS Name: dibutyl(oxo)tin; tetrapropyl silicate
OPENEYE Name: dibutyl(oxo)tin; tetrapropyl silicate
IUPAC Name: dibutyl(oxo)tin; tetrapropyl silicate
SYSTEMATIC NAME: dibutyl(oxidanylidene)tin; tetrapropyl silicate
MOLECULAR FORMULA: C20H46O5SiSn
MOLECULAR WEIGHT: 513.37174
SMILES: CCCC[Sn](=O)CCCC.CCCO[Si](OCCC)(OCCC)OCCC
Structure:
CAS RN: 68988-51-2
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 1,2-bis(ethenyl)benzene; 2-propenenitrile; 2-propenoic acid methyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 1,2-divinylbenzene; methyl prop-2-enoate; prop-2-enenitrile
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 1,2-bis(ethenyl)benzene; methyl prop-2-enoate; prop-2-enenitrile
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 1,2-bis(ethenyl)benzene; methyl prop-2-enoate; prop-2-enenitrile
MOLECULAR FORMULA: C21H32N4O2
MOLECULAR WEIGHT: 372.50438
SMILES: COC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1C=C.C(CNCCN)N
Structure:
CAS RN: 68988-23-8
CAS Name: 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 2-hydroxybenzoic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; phenylmethanol
OPENEYE Name: 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 2-hydroxybenzoic acid; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; phenylmethanol
IUPAC Name: 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 2-hydroxybenzoic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; phenylmethanol
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-oxidanylbenzoic acid; phenylmethanol
MOLECULAR FORMULA: C45H49ClN2O7
MOLECULAR WEIGHT: 765.33276
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C1=CC=C(C=C1)CO.C1=CC=C(C(=C1)C(=O)O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
Structure:
CAS RN: 68975-85-9
CAS Name: zinc; piperidine; 1-piperidinecarbodithioate
OPENEYE Name: zinc; piperidine; piperidine-1-carbodithioate
IUPAC Name: zinc; piperidine; piperidine-1-carbodithioate
SYSTEMATIC NAME: zinc; piperidine; piperidine-1-carbodithioate
MOLECULAR FORMULA: C17H31N3S4Zn
MOLECULAR WEIGHT: 471.11714
SMILES: C1CCNCC1.C1CCN(CC1)C(=S)[S-].C1CCN(CC1)C(=S)[S-].[Zn+2]
Structure:
CAS RN: 123361-80-8
CAS Name: N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamic acid 2,2-bis[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylamino]-oxomethoxy]methyl]butyl ester
OPENEYE Name: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
IUPAC Name: 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
SYSTEMATIC NAME: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
MOLECULAR FORMULA: C42H68N6O9
MOLECULAR WEIGHT: 801.02412
SMILES: CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C
Structure:
CAS RN: 170636-71-2
CAS Name: N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamic acid 2,2-bis[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylamino]-oxomethoxy]methyl]butyl ester
OPENEYE Name: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
IUPAC Name: 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
SYSTEMATIC NAME: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
MOLECULAR FORMULA: C42H68N6O9
MOLECULAR WEIGHT: 801.02412
SMILES: CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C
Structure:
CAS RN: 52001-75-9
CAS Name: N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamic acid 2,2-bis[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylamino]-oxomethoxy]methyl]butyl ester
OPENEYE Name: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
IUPAC Name: 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
SYSTEMATIC NAME: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
MOLECULAR FORMULA: C42H68N6O9
MOLECULAR WEIGHT: 801.02412
SMILES: CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C
Structure:
CAS RN: 68975-82-6
CAS Name: N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamic acid 2,2-bis[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylamino]-oxomethoxy]methyl]butyl ester
OPENEYE Name: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
IUPAC Name: 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
SYSTEMATIC NAME: 2,2-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate
MOLECULAR FORMULA: C42H68N6O9
MOLECULAR WEIGHT: 801.02412
SMILES: CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C
Structure:
CAS RN: 68966-95-0
CAS Name: sodium; 8-acetamido-1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate; cobalt(3+)
OPENEYE Name: cobaltic sodium 8-acetamido-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate
IUPAC Name: sodium; 8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate; cobalt(3+)
SYSTEMATIC NAME: sodium; 8-acetamido-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate; cobalt(3+)
MOLECULAR FORMULA: C36H28CoN8NaO10S2
MOLECULAR WEIGHT: 878.70809
SMILES: CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Na+].[Co+3]
Structure:
CAS RN: 68966-92-7
CAS Name: sodium; chromium(3+); 5-methyl-4-[5-(methylsulfamoyl)-2-oxidophenyl]azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic sodium 5-methyl-4-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 5-methyl-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; chromium(3+); 5-methyl-4-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C34H30CrN10NaO8S2
MOLECULAR WEIGHT: 845.78007
SMILES: CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 68966-85-8
CAS Name: trisodium 2-[4-[3-hydroxy-1-oxo-1-[(4-sulfonato-1-naphthalenyl)amino]butan-2-yl]azo-2-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
OPENEYE Name: trisodium 2-[4-[2-hydroxy-1-[(4-sulfonato-1-naphthyl)carbamoyl]propyl]azo-2-sulfonato-phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
IUPAC Name: trisodium 2-[4-[[3-hydroxy-1-oxo-1-[(4-sulfonatonaphthalen-1-yl)amino]butan-2-yl]diazenyl]-2-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
SYSTEMATIC NAME: trisodium 6-methyl-2-[4-[[3-oxidanyl-1-oxidanylidene-1-[(4-sulfonatonaphthalen-1-yl)amino]butan-2-yl]diazenyl]-2-sulfonato-phenyl]-1,3-benzothiazole-7-sulfonate
MOLECULAR FORMULA: C28H21N4Na3O11S4
MOLECULAR WEIGHT: 786.71585
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)N=NC(C(C)O)C(=O)NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 68966-76-7
CAS Name: 18-phenyloctadecanoic acid 1-[2-(1-oxo-18-phenyloctadecoxy)propoxy]propan-2-yl ester
OPENEYE Name: [1-methyl-2-[2-(18-phenyloctadecanoyloxy)propoxy]ethyl] 18-phenyloctadecanoate
IUPAC Name: 1-[2-(18-phenyloctadecanoyloxy)propoxy]propan-2-yl 18-phenyloctadecanoate
SYSTEMATIC NAME: 1-[2-(18-phenyloctadecanoyloxy)propoxy]propan-2-yl 18-phenyloctadecanoate
MOLECULAR FORMULA: C54H90O5
MOLECULAR WEIGHT: 819.2894
SMILES: CC(COCC(C)OC(=O)CCCCCCCCCCCCCCCCCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCC2=CC=CC=C2
Structure:
CAS RN: 68966-49-4
CAS Name: 3-[4-[[[4-[(4,8-disulfo-2-naphthalenyl)azo]-2-methoxy-5-methylanilino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,5-disulfonic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 3-[4-[[4-[(4,8-disulfo-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C41H43N7O17S4
MOLECULAR WEIGHT: 1034.07682
SMILES: CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)OC.C(CO)NCCO
Structure:
CAS RN: 68966-31-4
CAS Name: 4-[(4-aminophenyl)-(4-phenylimino-1-cyclohexa-2,5-dienylidene)methyl]aniline hydrochloride
OPENEYE Name: 4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
IUPAC Name: 4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
SYSTEMATIC NAME: 4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
MOLECULAR FORMULA: C25H22ClN3
MOLECULAR WEIGHT: 399.91528
SMILES: C1=CC=C(C=C1)N=C2C=CC(=C(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C2.Cl
Structure:
CAS RN: 68959-36-4
CAS Name: 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid
OPENEYE Name: 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid
IUPAC Name: 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid
SYSTEMATIC NAME: 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid
MOLECULAR FORMULA: C43H51N3O6S2
MOLECULAR WEIGHT: 770.01154
SMILES: CCN(CC)C1=CC=C(C=C1)C(C(C2=CC(=CC=C2)S(=O)(=O)O)NCC3=CC(=CC(=C3)C)C)C(C4=CC(=CC=C4)S(=O)(=O)O)NCC5=CC(=CC(=C5)C)C
Structure:
CAS RN: 68958-88-3
CAS Name: pentasodium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: nickelous; pentasodium; hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: pentasodium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: pentasodium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H13N2Na5NiO12P4
MOLECULAR WEIGHT: 602.710914
SMILES: [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni+2]
Structure:
CAS RN: 68958-87-2
CAS Name: pentapotassium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: nickelous; pentapotassium; hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: pentapotassium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: pentapotassium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H13K5N2NiO12P4
MOLECULAR WEIGHT: 683.253564
SMILES: [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[Ni+2]
Structure:
CAS RN: 68958-86-1
CAS Name: pentaammonium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: pentaammonium; nickelous; hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: pentaazanium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: pentaazanium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H33N7NiO12P4
MOLECULAR WEIGHT: 577.954364
SMILES: [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2]
Structure:
CAS RN: 1323-65-5
CAS Name: 2,3-di(nonyl)phenol
OPENEYE Name: 2,3-di(nonyl)phenol
IUPAC Name: 2,3-di(nonyl)phenol
SYSTEMATIC NAME: 2,3-di(nonyl)phenol
MOLECULAR FORMULA: C24H42O
MOLECULAR WEIGHT: 346.58968
SMILES: CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC
Structure:
CAS RN: 68958-82-7
CAS Name: 4-tert-butylphenol; 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane
OPENEYE Name: 4-tert-butylphenol; 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane
IUPAC Name: 4-tert-butylphenol; 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane
SYSTEMATIC NAME: 4-tert-butylphenol; 2,3-di(nonyl)phenol; methanal; 2-nonylphenol; oxirane
MOLECULAR FORMULA: C52H86O5
MOLECULAR WEIGHT: 791.23624
SMILES: CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC.CCCCCCCCCC1=CC=CC=C1O.CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1
Structure:
CAS RN: 68958-77-0
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxolane-2,5-dione; propane-1,2-diol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; propane-1,2-diol; tetrahydrofuran-2,5-dione
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxolane-2,5-dione; propane-1,2-diol; prop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxolane-2,5-dione; propane-1,2-diol; prop-2-enoic acid
MOLECULAR FORMULA: C28H37ClO10
MOLECULAR WEIGHT: 569.04038
SMILES: CC(CO)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=CC(=O)O.C1CC(=O)OC1=O.C1C(O1)CCl
Structure:
CAS RN: 160135-92-2
CAS Name: 2-[(6S)-6-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2,2-dimethyl-7-oxo-1-azepanyl]acetic acid
OPENEYE Name: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid
IUPAC Name: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(6S)-2,2-dimethyl-7-oxidanylidene-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]ethanoic acid
MOLECULAR FORMULA: C19H26N2O4S
MOLECULAR WEIGHT: 378.48574
SMILES: CC1(CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S)C
Structure:
CAS RN: 116684-93-6
CAS Name: 9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
OPENEYE Name: 9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
IUPAC Name: 9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SYSTEMATIC NAME: 9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
MOLECULAR FORMULA: C18H19N3O
MOLECULAR WEIGHT: 293.36296
SMILES: CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
Structure:
CAS RN: 156712-35-5
CAS Name: (3R)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrochloride
OPENEYE Name: (3R)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrochloride
IUPAC Name: (3R)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrochloride
SYSTEMATIC NAME: (3R)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one hydrochloride
MOLECULAR FORMULA: C18H20ClN3O
MOLECULAR WEIGHT: 329.8239
SMILES: CC1=C(N=CN1)C[C@H]2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
Structure:
CAS RN: 488-69-7
CAS Name: [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S)-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C6H14O12P2
MOLECULAR WEIGHT: 340.115682
SMILES: C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
Structure:
CAS RN: 81028-91-3
CAS Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)-2-oxolanyl]methyl phosphate; octahydrate
OPENEYE Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]methyl phosphate; octahydrate
IUPAC Name: trisodium; hydron; [(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate; octahydrate
SYSTEMATIC NAME: trisodium; hydron; [(2R,3S,4S)-3,4,5-tris(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate; octahydrate
MOLECULAR FORMULA: C6H27Na3O20P2
MOLECULAR WEIGHT: 550.183412
SMILES: [H+].C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 111793-41-0
CAS Name: (9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole; methane; hydrochloride
OPENEYE Name: (9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole; methane; hydrochloride
IUPAC Name: (9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole; methane; hydrochloride
SYSTEMATIC NAME: (9aS)-5-fluoranyl-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole; methane; hydrochloride
MOLECULAR FORMULA: C11H15ClFNO2
MOLECULAR WEIGHT: 247.693703
SMILES: C.C1[C@H]2C(CN1)OC3=C(O2)C=CC=C3F.Cl
Structure:
CAS RN: 967-48-6
CAS Name: N-[2-(dimethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamic acid ethyl ester hydrochloride
OPENEYE Name: ethyl N-[2-(dimethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamate hydrochloride
IUPAC Name: ethyl N-[2-(dimethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamate hydrochloride
SYSTEMATIC NAME: ethyl N-[2-(dimethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamate hydrochloride
MOLECULAR FORMULA: C14H20ClF3N2O2
MOLECULAR WEIGHT: 340.76901
SMILES: CCOC(=O)N(CCN(C)C)C1=CC=CC(=C1)C(F)(F)F.Cl
Structure:
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