CAS RN: 93858-28-7
CAS Name: 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-9,10-dioxoanthracene-1,7-disulfonic acid
OPENEYE Name: 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-1,7-disulfonic acid
IUPAC Name: 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-9,10-dioxoanthracene-1,7-disulfonic acid
SYSTEMATIC NAME: 8-azanyl-5-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid
MOLECULAR FORMULA: C23H14Cl2N6O11S3
MOLECULAR WEIGHT: 717.49186
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)O)NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O
Structure:
CAS RN: 70865-36-0
CAS Name: trisodium 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-1,7-disulfonate
OPENEYE Name: trisodium 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonato-anilino]-9,10-dioxo-anthracene-1,7-disulfonate
IUPAC Name: trisodium 8-amino-5-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-1,7-disulfonate
SYSTEMATIC NAME: trisodium 8-azanyl-5-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-3-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate
MOLECULAR FORMULA: C23H11Cl2N6Na3O11S3
MOLECULAR WEIGHT: 783.43735
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)[O-])NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 70865-28-0
CAS Name: disodium 4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C19H10Cl2N8Na2O9S2
MOLECULAR WEIGHT: 675.34644
SMILES: C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 70865-25-7
CAS Name: trisodium 4-[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: trisodium 4-[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: trisodium 4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: trisodium 4-[[5-[[4-chloranyl-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C25H15ClN9Na3O12S3
MOLECULAR WEIGHT: 834.05701
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 70857-15-7
CAS Name: 1-butanol; 2-methyloxirane; oxirane; 2-propenoic acid
OPENEYE Name: acrylic acid; butan-1-ol; 2-methyloxirane; oxirane
IUPAC Name: butan-1-ol; 2-methyloxirane; oxirane; prop-2-enoic acid
SYSTEMATIC NAME: butan-1-ol; 2-methyloxirane; oxirane; prop-2-enoic acid
MOLECULAR FORMULA: C12H24O5
MOLECULAR WEIGHT: 248.31596
SMILES: CCCCO.CC1CO1.C=CC(=O)O.C1CO1
Structure:
CAS RN: 70851-48-8
CAS Name: trichloro(triacontyl)silane
OPENEYE Name: trichloro(triacontyl)silane
IUPAC Name: trichloro(triacontyl)silane
SYSTEMATIC NAME: tris(chloranyl)-triacontyl-silane
MOLECULAR FORMULA: C30H61Cl3Si
MOLECULAR WEIGHT: 556.24984
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
Structure:
CAS RN: 70851-44-4
CAS Name: triammonium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)-2-phenazin-10-iumyl]amino]benzenesulfonate
OPENEYE Name: triammonium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonato-phenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
IUPAC Name: triazanium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
SYSTEMATIC NAME: triazanium 5-[[4-chloranyl-6-[[3-[oxidanidyl(oxidanyl)phosphoryl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonato-phenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C43H46ClN12O13PS3
MOLECULAR WEIGHT: 1101.519701
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)P(=O)(O)[O-])Cl)S(=O)(=O)[O-])N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
Structure:
CAS RN: 83984-88-7
CAS Name: triammonium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)-2-phenazin-10-iumyl]amino]benzenesulfonate
OPENEYE Name: triammonium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonato-phenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
IUPAC Name: triazanium 5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
SYSTEMATIC NAME: triazanium 5-[[4-chloranyl-6-[[3-[oxidanidyl(oxidanyl)phosphoryl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonato-phenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C43H46ClN12O13PS3
MOLECULAR WEIGHT: 1101.519701
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)P(=O)(O)[O-])Cl)S(=O)(=O)[O-])N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
Structure:
CAS RN: 70833-61-3
CAS Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 12-hydroxyoctadecanoic acid; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 12-hydroxyoctadecanoic acid; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol; 12-hydroxyoctadecanoic acid; terephthalic acid
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; [4-(hydroxymethyl)cyclohexyl]methanol; 12-oxidanyloctadecanoic acid; terephthalic acid
MOLECULAR FORMULA: C48H74O16
MOLECULAR WEIGHT: 907.09156
SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O.CC(C)(CO)CO.C1CC(CCC1CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
Structure:
CAS RN: 70832-04-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H35NO4
MOLECULAR WEIGHT: 425.5604
SMILES: COC1=C2C=C(CCC(CC3CCCC(N3)CC(CCC4=CC2=C(C=C4)O)O)O)C=C1
Structure:
CAS RN: 70815-23-5
CAS Name: diammonium 5-oxo-4-(3-phosphonophenyl)azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: diammonium 5-oxo-4-(3-phosphonophenyl)azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: diazanium 5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: diazanium 5-oxidanylidene-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C16H19N6O9PS
MOLECULAR WEIGHT: 502.395621
SMILES: C1=CC(=CC(=C1)P(=O)(O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[NH4+].[NH4+]
Structure:
CAS RN: 70815-17-7
CAS Name: chromium(3+); 3-(dioxidoamino)-6-oxo-5-[(2-oxo-1-naphthalenylidene)hydrazinylidene]-1-cyclohexa-1,3-dienesulfonate; hydron; 5-methyl-4-(5-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; 3-(dioxidoamino)-6-oxo-5-[(2-oxo-1-naphthylidene)hydrazono]cyclohexa-1,3-diene-1-sulfonate; hydron; 5-methyl-4-(5-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: chromium(3+); 3-(dioxidoamino)-6-oxo-5-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,3-diene-1-sulfonate; hydron; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: 3-[bis(oxidanidyl)amino]-6-oxidanylidene-5-[(2-oxidanylidenenaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,3-diene-1-sulfonate; chromium(3+); hydron; 5-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C32H20CrN8O11S-
MOLECULAR WEIGHT: 776.6093
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=C(C3=O)S(=O)(=O)[O-])N([O-])[O-].[Cr+3]
Structure:
CAS RN: 70815-09-7
CAS Name: disodium 2,5-dichloro-4-[3-methyl-4-(2-methyl-4-sulfonatophenyl)azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: disodium 2,5-dichloro-4-[3-methyl-4-(2-methyl-4-sulfonato-phenyl)azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: disodium 2,5-dichloro-4-[3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2,5-bis(chloranyl)-4-[3-methyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C17H12Cl2N4Na2O7S2
MOLECULAR WEIGHT: 565.31532
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C.[Na+].[Na+]
Structure:
CAS RN: 55353-56-5
CAS Name: 2-methyl-2-propenoic acid 2-(tert-butylamino)ethyl ester; 2-methyl-2-propenoic acid 2-hydroxypropyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; N-(2,4,4-trimethylpentan-2-yl)-2-propenamide
OPENEYE Name: acrylic acid; 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; N-(1,1,3,3-tetramethylbutyl)prop-2-enamide
IUPAC Name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SYSTEMATIC NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate; prop-2-enoic acid; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C36H64N2O10
MOLECULAR WEIGHT: 684.90076
SMILES: CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCNC(C)(C)C.CC(C)(C)CC(C)(C)NC(=O)C=C.C=CC(=O)O
Structure:
CAS RN: 70801-07-9
CAS Name: 2-methyl-2-propenoic acid 2-(tert-butylamino)ethyl ester; 2-methyl-2-propenoic acid 2-hydroxypropyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; N-(2,4,4-trimethylpentan-2-yl)-2-propenamide
OPENEYE Name: acrylic acid; 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; N-(1,1,3,3-tetramethylbutyl)prop-2-enamide
IUPAC Name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; 2-hydroxypropyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SYSTEMATIC NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate; prop-2-enoic acid; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C36H64N2O10
MOLECULAR WEIGHT: 684.90076
SMILES: CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCNC(C)(C)C.CC(C)(C)CC(C)(C)NC(=O)C=C.C=CC(=O)O
Structure:
CAS RN: 70801-03-5
CAS Name: boric acid; 7,7-dimethyloctanoic acid; zinc
OPENEYE Name: boric acid; 7,7-dimethyloctanoic acid; zinc
IUPAC Name: boric acid; 7,7-dimethyloctanoic acid; zinc
SYSTEMATIC NAME: boric acid; 7,7-dimethyloctanoic acid; zinc
MOLECULAR FORMULA: C30H63BO9Zn3
MOLECULAR WEIGHT: 774.85382
SMILES: B(O)(O)O.CC(C)(C)CCCCCC(=O)O.CC(C)(C)CCCCCC(=O)O.CC(C)(C)CCCCCC(=O)O.[Zn].[Zn].[Zn]
Structure:
CAS RN: 70788-65-7
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C47H90N4O14
MOLECULAR WEIGHT: 935.2359
SMILES: CC1(CC(CC(C1)(C)CN)N)C.CC(C)(CO)CO.CC(CO)(CO)C(=O)O.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 70788-62-4
CAS Name: disodium; 2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthalenyl]azo]benzoate; chromium(3+); hydron
OPENEYE Name: chromic; disodium; 2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthyl]azo]benzoate; hydron
IUPAC Name: disodium; 2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate; chromium(3+); hydron
SYSTEMATIC NAME: disodium; 2-[[6-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxidanidyl-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate; chromium(3+); hydron
MOLECULAR FORMULA: C42H25Cl2CrN12Na2O14S2
MOLECULAR WEIGHT: 1154.73154
SMILES: [H+].COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Cr+3]
Structure:
CAS RN: 70788-41-9
CAS Name: N,N-diethylethanamine; 2-methylenehexanoic acid; 2-methyl-2-propenoic acid 2-hydroxypropyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; N,N-diethylethanamine; 2-hydroxypropyl 2-methylprop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate
IUPAC Name: N,N-diethylethanamine; 2-hydroxypropyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: N,N-diethylethanamine; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C28H51NO9
MOLECULAR WEIGHT: 545.70584
SMILES: CCCCC(=C)C(=O)O.CCN(CC)CC.CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC.C=CC(=O)O
Structure:
CAS RN: 25321-41-9
CAS Name: 2,3-dimethylbenzenesulfonic acid
OPENEYE Name: 2,3-dimethylbenzenesulfonic acid
IUPAC Name: 2,3-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 2,3-dimethylbenzenesulfonic acid
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CC1=C(C(=CC=C1)S(=O)(=O)O)C
Structure:
CAS RN: 1321-29-5
CAS Name: 2,3-dimethylbenzenesulfonic acid
OPENEYE Name: 2,3-dimethylbenzenesulfonic acid
IUPAC Name: 2,3-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 2,3-dimethylbenzenesulfonic acid
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CC1=C(C(=CC=C1)S(=O)(=O)O)C
Structure:
CAS RN: 70788-35-1
CAS Name: 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-undecanethiol; 2-propenoic acid 2-ethylhexyl ester; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-ethylhexyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylundecane-2-thiol; styrene
IUPAC Name: butyl 2-methylprop-2-enoate; 2-ethylhexyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylundecane-2-thiol; styrene
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; ethenylbenzene; 2-ethylhexyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylundecane-2-thiol
MOLECULAR FORMULA: C49H84O9S
MOLECULAR WEIGHT: 849.25086
SMILES: CCCCCCCCCC(C)(C)S.CCCCC(CC)COC(=O)C=C.CCCCOC(=O)C(=C)C.CC(=C)C(=O)OC.C=CC1=CC=CC=C1.C=CC(=O)OCCO
Structure:
CAS RN: 70776-97-5
CAS Name: 4-(5-chloro-2-oxidophenyl)azo-5-methyl-2-(4-sulfamoylphenyl)-3-pyrazololate; chromium(3+); hydron
OPENEYE Name: chromic; 4-(5-chloro-2-oxido-phenyl)azo-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; hydron
IUPAC Name: 4-[(5-chloro-2-oxidophenyl)diazenyl]-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; chromium(3+); hydron
SYSTEMATIC NAME: 4-[(5-chloranyl-2-oxidanidyl-phenyl)diazenyl]-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; chromium(3+); hydron
MOLECULAR FORMULA: C32H25Cl2CrN10O8S2
MOLECULAR WEIGHT: 864.6352
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3]
Structure:
CAS RN: 93267-57-3
CAS Name: 4-(5-chloro-2-oxidophenyl)azo-5-methyl-2-(4-sulfamoylphenyl)-3-pyrazololate; chromium(3+); hydron
OPENEYE Name: chromic; 4-(5-chloro-2-oxido-phenyl)azo-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; hydron
IUPAC Name: 4-[(5-chloro-2-oxidophenyl)diazenyl]-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; chromium(3+); hydron
SYSTEMATIC NAME: 4-[(5-chloranyl-2-oxidanidyl-phenyl)diazenyl]-5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-olate; chromium(3+); hydron
MOLECULAR FORMULA: C32H25Cl2CrN10O8S2
MOLECULAR WEIGHT: 864.6352
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3]
Structure:
CAS RN: 70776-92-0
CAS Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; oxolane-2,5-dione; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; terephthalic acid; tetrahydrofuran-2,5-dione
IUPAC Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; oxolane-2,5-dione; terephthalic acid
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; oxolane-2,5-dione; terephthalic acid
MOLECULAR FORMULA: C26H26O14
MOLECULAR WEIGHT: 562.47624
SMILES: CC(C)(CO)CO.C1CC(=O)OC1=O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
Structure:
CAS RN: 70776-74-8
CAS Name: ammonium 3-mercaptopropanoate
OPENEYE Name: ammonium 3-sulfanylpropanoate
IUPAC Name: azanium 3-sulfanylpropanoate
SYSTEMATIC NAME: azanium 3-sulfanylpropanoate
MOLECULAR FORMULA: C3H9NO2S
MOLECULAR WEIGHT: 123.17406
SMILES: C(CS)C(=O)[O-].[NH4+]
Structure:
CAS RN: 70776-73-7
CAS Name: ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)ammonium; ethyl sulfate
OPENEYE Name: ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxy-propyl)ammonium; ethyl sulfate
IUPAC Name: ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)azanium; ethyl sulfate
SYSTEMATIC NAME: ethyl-bis(2-hydroxyethyl)-(3-octoxy-2-oxidanyl-propyl)azanium; ethyl sulfate
MOLECULAR FORMULA: C19H43NO8S
MOLECULAR WEIGHT: 445.61162
SMILES: CCCCCCCCOCC(C[N+](CC)(CCO)CCO)O.CCOS(=O)(=O)[O-]
Structure:
CAS RN: 70776-71-5
CAS Name: (3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)ammonium; ethyl sulfate
OPENEYE Name: (3-decoxy-2-hydroxy-propyl)-ethyl-bis(2-hydroxyethyl)ammonium; ethyl sulfate
IUPAC Name: (3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)azanium; ethyl sulfate
SYSTEMATIC NAME: (3-decoxy-2-oxidanyl-propyl)-ethyl-bis(2-hydroxyethyl)azanium; ethyl sulfate
MOLECULAR FORMULA: C21H47NO8S
MOLECULAR WEIGHT: 473.66478
SMILES: CCCCCCCCCCOCC(C[N+](CC)(CCO)CCO)O.CCOS(=O)(=O)[O-]
Structure:
CAS RN: 70776-65-7
CAS Name: 2-aminoethanol; 3-mercaptopropanoic acid
OPENEYE Name: 2-aminoethanol; 3-sulfanylpropanoic acid
IUPAC Name: 2-aminoethanol; 3-sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanylethanol; 3-sulfanylpropanoic acid
MOLECULAR FORMULA: C5H13NO3S
MOLECULAR WEIGHT: 167.22662
SMILES: C(CS)C(=O)O.C(CO)N
Structure:
CAS RN: 70776-46-4
CAS Name: acetic acid ethenyl ester; 4-methyl-2-methylenepentanoic acid; 2-propenoic acid
OPENEYE Name: acrylic acid; 4-methyl-2-methylene-pentanoic acid; vinyl acetate
IUPAC Name: ethenyl acetate; 4-methyl-2-methylidenepentanoic acid; prop-2-enoic acid
SYSTEMATIC NAME: ethenyl ethanoate; 4-methyl-2-methylidene-pentanoic acid; prop-2-enoic acid
MOLECULAR FORMULA: C14H22O6
MOLECULAR WEIGHT: 286.32088
SMILES: CC(C)CC(=C)C(=O)O.CC(=O)OC=C.C=CC(=O)O
Structure:
CAS RN: 70776-41-9
CAS Name: benzoic acid prop-2-enyl ester; 2-propen-1-ol; styrene
OPENEYE Name: allyl benzoate; prop-2-en-1-ol; styrene
IUPAC Name: prop-2-en-1-ol; prop-2-enyl benzoate; styrene
SYSTEMATIC NAME: ethenylbenzene; prop-2-en-1-ol; prop-2-enyl benzoate
MOLECULAR FORMULA: C21H24O3
MOLECULAR WEIGHT: 324.41346
SMILES: C=CCO.C=CCOC(=O)C1=CC=CC=C1.C=CC1=CC=CC=C1
Structure:
CAS RN: 110813-95-1
CAS Name: 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-(1-piperazinyl)ethanamine
OPENEYE Name: 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C27H39N3O4
MOLECULAR WEIGHT: 469.61626
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C1CN(CCN1)CCN
Structure:
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