CAS RN: 50977-10-1
CAS Name: 3-(11-methyldodecoxy)-1-propanamine
OPENEYE Name: 3-(11-methyldodecoxy)propan-1-amine
IUPAC Name: 3-(11-methyldodecoxy)propan-1-amine
SYSTEMATIC NAME: 3-(11-methyldodecoxy)propan-1-amine
MOLECULAR FORMULA: C16H35NO
MOLECULAR WEIGHT: 257.4552
SMILES: CC(C)CCCCCCCCCCOCCCN
Structure:
CAS RN: 50976-35-7
CAS Name: disodium 6-aminonaphthalene-1,3-disulfonate
OPENEYE Name: disodium 6-aminonaphthalene-1,3-disulfonate
IUPAC Name: disodium 6-aminonaphthalene-1,3-disulfonate
SYSTEMATIC NAME: disodium 6-azanylnaphthalene-1,3-disulfonate
MOLECULAR FORMULA: C10H7NNa2O6S2
MOLECULAR WEIGHT: 347.27522
SMILES: C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 83732-83-6
CAS Name: disodium 6-aminonaphthalene-1,3-disulfonate
OPENEYE Name: disodium 6-aminonaphthalene-1,3-disulfonate
IUPAC Name: disodium 6-aminonaphthalene-1,3-disulfonate
SYSTEMATIC NAME: disodium 6-azanylnaphthalene-1,3-disulfonate
MOLECULAR FORMULA: C10H7NNa2O6S2
MOLECULAR WEIGHT: 347.27522
SMILES: C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 50963-62-7
CAS Name: N-[2-(2-cyano-4,6-dinitrophenyl)azo-5-[ethyl-(phenylmethyl)amino]phenyl]acetamide
OPENEYE Name: N-[5-[benzyl(ethyl)amino]-2-(2-cyano-4,6-dinitro-phenyl)azo-phenyl]acetamide
IUPAC Name: N-[5-[benzyl(ethyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)diazenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2-cyano-4,6-dinitro-phenyl)diazenyl]-5-[ethyl-(phenylmethyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C24H21N7O5
MOLECULAR WEIGHT: 487.46744
SMILES: CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
Structure:
CAS RN: 50937-95-6
CAS Name: 2-methylenepentadecanoic acid; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-methylenepentadecanoic acid; methyl 2-methylprop-2-enoate
IUPAC Name: 2-methylidenepentadecanoic acid; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-methylidenepentadecanoic acid; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCCCCCCCCCC(=C)C(=O)O.CC(=C)C(=O)OC
Structure:
CAS RN: 50927-96-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O3
MOLECULAR WEIGHT: 454.68444
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3([C@@H]5CC6([C@H]4CC(CC6)(C)C)C(=O)O5)C)C)(C)C)O
Structure:
CAS RN: 50925-42-3
CAS Name: tetrasodium 3-[4-[[4-[4-[(4,8-disulfonato-2-naphthalenyl)azo]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azonaphthalene-1,5-disulfonate
OPENEYE Name: tetrasodium 3-[4-[[4-[4-[(4,8-disulfonato-2-naphthyl)azo]-3-methyl-anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonate
IUPAC Name: tetrasodium 3-[[4-[[4-[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
SYSTEMATIC NAME: tetrasodium 3-[[4-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C39H30N10Na4O13S4
MOLECULAR WEIGHT: 1066.93378
SMILES: CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)N=NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 50921-65-8
CAS Name: (3S,8S,9S,10R,13S,14S)-17-[(2S)-3-amino-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13S,14S)-17-[(1S)-2-amino-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13S,14S)-17-[(2S)-3-amino-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S)-17-[(2S)-3-azanyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H47NO
MOLECULAR WEIGHT: 401.66818
SMILES: C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(CCC(C)C)N
Structure:
CAS RN: 50915-31-6
CAS Name: cyclohexyloxy-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: cyclohexoxy-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: cyclohexyloxy-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: cyclohexyloxy-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H17O3PS
MOLECULAR WEIGHT: 224.257541
SMILES: COP(=S)(OC)OC1CCCCC1
Structure:
CAS RN: 50886-70-9
CAS Name: 6-(2,2-dimethylcyclopropyl)-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 6-(2,2-dimethylcyclopropyl)furo[3,2-g]chromen-7-one
IUPAC Name: 6-(2,2-dimethylcyclopropyl)furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 6-(2,2-dimethylcyclopropyl)furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1(CC1C2=CC3=C(C=C4C(=C3)C=CO4)OC2=O)C
Structure:
CAS RN: 50884-33-8
CAS Name: N-ethylcarbamic acid 3-furanylmethyl ester
OPENEYE Name: 3-furylmethyl N-ethylcarbamate
IUPAC Name: furan-3-ylmethyl N-ethylcarbamate
SYSTEMATIC NAME: furan-3-ylmethyl N-ethylcarbamate
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CCNC(=O)OCC1=COC=C1
Structure:
CAS RN: 50868-58-1
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]-9-purinyl]oxolane-3,4-diol
OPENEYE Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H19N5O5
MOLECULAR WEIGHT: 373.36326
SMILES: C1=CC=C(C(=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 50507-26-1
CAS Name: N-[3-(dimethylamino)propyl]-2-methyl-2-propenamide; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid octadecyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C55H104N2O7
MOLECULAR WEIGHT: 905.42346
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCCCCCCCCCCCOC(=O)C(=C)C.CCCCOC(=O)C(=C)C.CC(=C)C(=O)NCCCN(C)C
Structure:
CAS RN: 50867-55-5
CAS Name: N-[3-(dimethylamino)propyl]-2-methyl-2-propenamide; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid octadecyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; dodecyl 2-methylprop-2-enoate; octadecyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C55H104N2O7
MOLECULAR WEIGHT: 905.42346
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCCCCCCCCCCCOC(=O)C(=C)C.CCCCOC(=O)C(=C)C.CC(=C)C(=O)NCCCN(C)C
Structure:
CAS RN: 50865-98-0
CAS Name: 5-amino-2-hydrazinylpentanoic acid
OPENEYE Name: 5-amino-2-hydrazino-pentanoic acid
IUPAC Name: 5-amino-2-hydrazinylpentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-diazanyl-pentanoic acid
MOLECULAR FORMULA: C5H13N3O2
MOLECULAR WEIGHT: 147.17562
SMILES: C(CC(C(=O)O)NN)CN
Structure:
CAS RN: 193700-29-7
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-cyanoguanidine
MOLECULAR FORMULA: C6H17N7
MOLECULAR WEIGHT: 187.24608
SMILES: C(CNCCN)N.C(#N)N=C(N)N
Structure:
CAS RN: 50862-68-5
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-cyanoguanidine
MOLECULAR FORMULA: C6H17N7
MOLECULAR WEIGHT: 187.24608
SMILES: C(CNCCN)N.C(#N)N=C(N)N
Structure:
CAS RN: 64366-83-2
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-cyanoguanidine
MOLECULAR FORMULA: C6H17N7
MOLECULAR WEIGHT: 187.24608
SMILES: C(CNCCN)N.C(#N)N=C(N)N
Structure:
CAS RN: 75037-24-0
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-cyanoguanidine
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-cyanoguanidine
MOLECULAR FORMULA: C6H17N7
MOLECULAR WEIGHT: 187.24608
SMILES: C(CNCCN)N.C(#N)N=C(N)N
Structure:
CAS RN: 105469-89-4
CAS Name: [3-[dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonio]-2-hydroxypropyl]-trimethylammonium dichloride
OPENEYE Name: [3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonio]-2-hydroxy-propyl]-trimethyl-ammonium dichloride
IUPAC Name: [3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium dichloride
SYSTEMATIC NAME: dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium dichloride
MOLECULAR FORMULA: C14H30Cl2N2O3
MOLECULAR WEIGHT: 345.3056
SMILES: CC(=C)C(=O)OCC[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]
Structure:
CAS RN: 50862-24-3
CAS Name: [3-[dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonio]-2-hydroxypropyl]-trimethylammonium dichloride
OPENEYE Name: [3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonio]-2-hydroxy-propyl]-trimethyl-ammonium dichloride
IUPAC Name: [3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium dichloride
SYSTEMATIC NAME: dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium dichloride
MOLECULAR FORMULA: C14H30Cl2N2O3
MOLECULAR WEIGHT: 345.3056
SMILES: CC(=C)C(=O)OCC[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]
Structure:
CAS RN: 50861-78-4
CAS Name: 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid ethyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C17H28O6
MOLECULAR WEIGHT: 328.40062
SMILES: CCCCOC(=O)C(=C)C.CCOC(=O)C(=C)C.C=CC(=O)O
Structure:
CAS RN: 50987-75-2
CAS Name: 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid ethyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C17H28O6
MOLECULAR WEIGHT: 328.40062
SMILES: CCCCOC(=O)C(=C)C.CCOC(=O)C(=C)C.C=CC(=O)O
Structure:
CAS RN: 50851-34-8
CAS Name: 1,2-dimethyl-3,4-bis(phenylmethyl)benzene
OPENEYE Name: 1,2-dibenzyl-3,4-dimethyl-benzene
IUPAC Name: 1,2-dibenzyl-3,4-dimethylbenzene
SYSTEMATIC NAME: 1,2-dimethyl-3,4-bis(phenylmethyl)benzene
MOLECULAR FORMULA: C22H22
MOLECULAR WEIGHT: 286.41008
SMILES: CC1=C(C(=C(C=C1)CC2=CC=CC=C2)CC3=CC=CC=C3)C
Structure:
CAS RN: 50850-92-5
CAS Name: 6-(methylthio)-1,3-benzothiazol-2-amine
OPENEYE Name: 6-methylsulfanyl-1,3-benzothiazol-2-amine
IUPAC Name: 6-methylsulfanyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-methylsulfanyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C8H8N2S2
MOLECULAR WEIGHT: 196.29252
SMILES: CSC1=CC2=C(C=C1)N=C(S2)N
Structure:
CAS RN: 50850-26-5
CAS Name: 1-(5-acetyl-3,7-dinitro-1,3,5,7-tetrazocan-1-yl)ethanone
OPENEYE Name: 1-(5-acetyl-3,7-dinitro-1,3,5,7-tetrazocan-1-yl)ethanone
IUPAC Name: 1-(5-acetyl-3,7-dinitro-1,3,5,7-tetrazocan-1-yl)ethanone
SYSTEMATIC NAME: 1-(5-ethanoyl-3,7-dinitro-1,3,5,7-tetrazocan-1-yl)ethanone
MOLECULAR FORMULA: C8H14N6O6
MOLECULAR WEIGHT: 290.23336
SMILES: CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 50842-42-7
CAS Name: (4S)-4-amino-2-[(2S)-2-amino-3-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-6-(methylthio)-3-oxohexanoic acid
OPENEYE Name: (4S)-4-amino-2-[(2S)-2-amino-3-[[(1S)-2-[[(1S)-1-carboxy-2-phenyl-ethyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-3-oxo-propyl]-6-methylsulfanyl-3-oxo-hexanoic acid
IUPAC Name: (4S)-4-amino-2-[(2S)-2-amino-3-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-6-methylsulfanyl-3-oxohexanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-2-[(2S)-2-azanyl-3-[[(2S)-3-(4H-imidazol-4-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-3-oxidanylidene-propyl]-6-methylsulfanyl-3-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C25H34N6O7S
MOLECULAR WEIGHT: 562.63846
SMILES: CSCC[C@@H](C(=O)C(C[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)C(=O)O)N
Structure:
CAS RN: 50821-59-5
CAS Name: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: adipic acid; butane-1,4-diol; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C33H46N2O10
MOLECULAR WEIGHT: 630.72574
SMILES: C1CC(CCC1CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 678971-26-1
CAS Name: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: adipic acid; butane-1,4-diol; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: butane-1,4-diol; hexanedioic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C33H46N2O10
MOLECULAR WEIGHT: 630.72574
SMILES: C1CC(CCC1CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 50818-84-3
CAS Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
OPENEYE Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
SYSTEMATIC NAME: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
MOLECULAR FORMULA: C9H9NO3S2
MOLECULAR WEIGHT: 243.30266
SMILES: CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)[O-]
Structure:
CAS RN: 112999-83-4
CAS Name: 2-(8-bromooctoxy)oxane
OPENEYE Name: 2-(8-bromooctoxy)tetrahydropyran
IUPAC Name: 2-(8-bromooctoxy)oxane
SYSTEMATIC NAME: 2-(8-bromanyloctoxy)oxane
MOLECULAR FORMULA: C13H25BrO2
MOLECULAR WEIGHT: 293.2404
SMILES: C1CCOC(C1)OCCCCCCCCBr
Structure:
CAS RN: 50816-20-1
CAS Name: 2-(8-bromooctoxy)oxane
OPENEYE Name: 2-(8-bromooctoxy)tetrahydropyran
IUPAC Name: 2-(8-bromooctoxy)oxane
SYSTEMATIC NAME: 2-(8-bromanyloctoxy)oxane
MOLECULAR FORMULA: C13H25BrO2
MOLECULAR WEIGHT: 293.2404
SMILES: C1CCOC(C1)OCCCCCCCCBr
Structure:
CAS RN: 50814-04-5
CAS Name: 1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-10H-anthracen-9-one
OPENEYE Name: 1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-10H-anthracen-9-one
IUPAC Name: 1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-10H-anthracen-9-one
MOLECULAR FORMULA: C27H32O14
MOLECULAR WEIGHT: 580.53458
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O
Structure:
CAS RN: 50793-86-7
CAS Name: 4-octylbenzoic acid (4-cyanophenyl) ester
OPENEYE Name: (4-cyanophenyl) 4-octylbenzoate
IUPAC Name: (4-cyanophenyl) 4-octylbenzoate
SYSTEMATIC NAME: (4-cyanophenyl) 4-octylbenzoate
MOLECULAR FORMULA: C22H25NO2
MOLECULAR WEIGHT: 335.4394
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 50793-85-6
CAS Name: 4-hexylbenzoic acid (4-cyanophenyl) ester
OPENEYE Name: (4-cyanophenyl) 4-hexylbenzoate
IUPAC Name: (4-cyanophenyl) 4-hexylbenzoate
SYSTEMATIC NAME: (4-cyanophenyl) 4-hexylbenzoate
MOLECULAR FORMULA: C20H21NO2
MOLECULAR WEIGHT: 307.38624
SMILES: CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 50789-44-1
CAS Name: acetic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl acetate
IUPAC Name: (3-phenoxyphenyl)methyl acetate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl ethanoate
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2
Structure:
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