CAS RN: 94344-71-5
CAS Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
OPENEYE Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
IUPAC Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C
Structure:
CAS RN: 72615-19-1
CAS Name: (5R,6R)-3-(2-acetamidoethylthio)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-3-(2-acetamidoethylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H20N2O4S
MOLECULAR WEIGHT: 312.3846
SMILES: CC(C)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C
Structure:
CAS RN: 12236-11-2
CAS Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
OPENEYE Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
IUPAC Name: 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(3-ethoxypropyl)benzenesulfonamide
SYSTEMATIC NAME: 4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-N-(3-ethoxypropyl)benzenesulfonamide
MOLECULAR FORMULA: C25H24N2O7S
MOLECULAR WEIGHT: 496.53226
SMILES: CCOCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Structure:
CAS RN: 72363-26-9
CAS Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
OPENEYE Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
IUPAC Name: 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(3-ethoxypropyl)benzenesulfonamide
SYSTEMATIC NAME: 4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-N-(3-ethoxypropyl)benzenesulfonamide
MOLECULAR FORMULA: C25H24N2O7S
MOLECULAR WEIGHT: 496.53226
SMILES: CCOCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Structure:
CAS RN: 339158-23-5
CAS Name: trisodium 5-oxo-4-[4-[oxo-[3-(2-sulfonatooxyethylsulfonyl)anilino]methyl]phenyl]azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: trisodium 5-oxo-4-[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: trisodium 5-oxo-4-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: trisodium 5-oxidanylidene-4-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C25H18N5Na3O13S3
MOLECULAR WEIGHT: 761.60043
SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 72187-36-1
CAS Name: trisodium 5-oxo-4-[4-[oxo-[3-(2-sulfonatooxyethylsulfonyl)anilino]methyl]phenyl]azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: trisodium 5-oxo-4-[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]azo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: trisodium 5-oxo-4-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: trisodium 5-oxidanylidene-4-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C25H18N5Na3O13S3
MOLECULAR WEIGHT: 761.60043
SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 72139-17-4
CAS Name: disodium 1-amino-4-[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: disodium 1-amino-4-[3-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-methyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: disodium 1-amino-4-[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: disodium 1-azanyl-4-[[3-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-methyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C25H14ClF2N5Na2O8S2
MOLECULAR WEIGHT: 695.966706
SMILES: CC1=C(C=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)F)F)Cl.[Na+].[Na+]
Structure:
CAS RN: 72018-30-5
CAS Name: 1-ethyl-6-methylcyclohexene
OPENEYE Name: 1-ethyl-6-methyl-cyclohexene
IUPAC Name: 1-ethyl-6-methylcyclohexene
SYSTEMATIC NAME: 1-ethyl-6-methyl-cyclohexene
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CCC1=CCCCC1C
Structure:
CAS RN: 92847-96-6
CAS Name: 1,8-dianilino-4,5-dihydroxyanthracene-9,10-dione
OPENEYE Name: 1,8-dianilino-4,5-dihydroxy-anthracene-9,10-dione
IUPAC Name: 1,8-dianilino-4,5-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis(oxidanyl)-4,5-bis(phenylazanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C26H18N2O4
MOLECULAR WEIGHT: 422.43212
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)NC5=CC=CC=C5)O
Structure:
CAS RN: 40537-81-3
CAS Name: 2,5-dichloro-4-[4-[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
OPENEYE Name: 2,5-dichloro-4-[4-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
IUPAC Name: 2,5-dichloro-4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 2,5-bis(chloranyl)-4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C25H23Cl2N5O6S2
MOLECULAR WEIGHT: 624.51602
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl)C)C
Structure:
CAS RN: 91286-89-4
CAS Name: benzene-1,3-dicarboxylic acid; N-methylmethanamine
OPENEYE Name: isophthalic acid; N-methylmethanamine
IUPAC Name: benzene-1,3-dicarboxylic acid; N-methylmethanamine
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; N-methylmethanamine
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CNC.C1=CC(=CC(=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 90605-03-1
CAS Name: tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthalenyl]azo]-1-naphthalenyl]azo]naphthalene-1,3,6-trisulfonate
OPENEYE Name: tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,3,6-trisulfonate
IUPAC Name: tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-7-sulfonato-naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C33H18ClN9Na4O12S4
MOLECULAR WEIGHT: 988.2212
SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=CC4=C(C=C(C=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C6C=C(C=CC6=C(C=C5)NC7=NC(=NC(=N7)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 12236-93-0
CAS Name: tetrasodium 5-[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthalenyl]azo]-2,5-dimethylphenyl]azonaphthalene-1,3,6-trisulfonate
OPENEYE Name: tetrasodium 5-[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-2,5-dimethyl-phenyl]azonaphthalene-1,3,6-trisulfonate
IUPAC Name: tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-7-sulfonato-naphthalen-1-yl]diazenyl]-2,5-dimethyl-phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C31H20ClN9Na4O12S4
MOLECULAR WEIGHT: 966.21568
SMILES: CC1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC4=C5C=C(C=CC5=C(C=C4)NC6=NC(=NC(=N6)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 84070-39-3
CAS Name: tetrasodium 5-[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthalenyl]azo]-2,5-dimethylphenyl]azonaphthalene-1,3,6-trisulfonate
OPENEYE Name: tetrasodium 5-[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-2,5-dimethyl-phenyl]azonaphthalene-1,3,6-trisulfonate
IUPAC Name: tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-7-sulfonato-naphthalen-1-yl]diazenyl]-2,5-dimethyl-phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C31H20ClN9Na4O12S4
MOLECULAR WEIGHT: 966.21568
SMILES: CC1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC4=C5C=C(C=CC5=C(C=C4)NC6=NC(=NC(=N6)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 9060-33-7
CAS Name: tetrasodium 4-[5-[[[4-[3-methyl-5-oxo-4-[2-sulfonato-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo-4H-pyrazol-1-yl]phenyl]-oxomethyl]amino]-2-sulfonatophenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: tetrasodium 4-[5-[[4-[3-methyl-5-oxo-4-[2-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo-4H-pyrazol-1-yl]benzoyl]amino]-2-sulfonato-phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: tetrasodium 4-[[5-[[4-[3-methyl-5-oxo-4-[[2-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-4H-pyrazol-1-yl]benzoyl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: tetrasodium 4-[[5-[[4-[3-methyl-5-oxidanylidene-4-[[2-sulfonato-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]-4H-pyrazol-1-yl]phenyl]carbonylamino]-2-sulfonato-phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxyla
MOLECULAR FORMULA: C37H21Cl3N12Na4O14S3
MOLECULAR WEIGHT: 1152.14772
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=C(C(=NC(=N3)Cl)Cl)Cl)S(=O)(=O)[O-])C4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)S(=O)(=O)[O-])N=NC6C(=NN(C6=O)C7=CC=C(C=C7)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 12220-20-1
CAS Name: disodium 3-[[N-ethyl-4-[[4-(3-sulfonatophenyl)azo-1-naphthalenyl]azo]anilino]methyl]benzenesulfonate
OPENEYE Name: disodium 3-[[N-ethyl-4-[[4-(3-sulfonatophenyl)azo-1-naphthyl]azo]anilino]methyl]benzenesulfonate
IUPAC Name: disodium 3-[[N-ethyl-4-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]anilino]methyl]benzenesulfonate
SYSTEMATIC NAME: disodium 3-[[ethyl-[4-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]amino]methyl]benzenesulfonate
MOLECULAR FORMULA: C31H25N5Na2O6S2
MOLECULAR WEIGHT: 673.66964
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 59764-28-2
CAS Name: disodium 1-amino-4-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: disodium 1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: disodium 1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: disodium 1-azanyl-4-[[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C23H14BrN3Na2O9S2
MOLECULAR WEIGHT: 666.3855
SMILES: C=C(C(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+]
Structure:
CAS RN: 59800-32-7
CAS Name: disodium 1-amino-4-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: disodium 1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: disodium 1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: disodium 1-azanyl-4-[[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C23H14BrN3Na2O9S2
MOLECULAR WEIGHT: 666.3855
SMILES: C=C(C(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+]
Structure:
CAS RN: 360770-22-5
CAS Name: disodium 2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]-1-anthracenyl]amino]phenoxy]benzenesulfonate
OPENEYE Name: disodium 2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]-1-anthryl]amino]phenoxy]benzenesulfonate
IUPAC Name: disodium 2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]anthracen-1-yl]amino]phenoxy]benzenesulfonate
SYSTEMATIC NAME: disodium 2-[4-[[9,10-bis(oxidanylidene)-4-[[4-(2-sulfonatophenoxy)phenyl]amino]anthracen-1-yl]amino]phenoxy]benzenesulfonate
MOLECULAR FORMULA: C38H24N2Na2O10S2
MOLECULAR WEIGHT: 778.7141
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)OC5=CC=CC=C5S(=O)(=O)[O-])NC6=CC=C(C=C6)OC7=CC=CC=C7S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 137288-80-3
CAS Name: 2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]thio]phosphinothio]acetic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxo-ethyl]sulfanyl]phosphanylsulfanylacetate
IUPAC Name: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]phosphanylsulfanylacetate
SYSTEMATIC NAME: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxidanylidene-ethyl]sulfanyl]phosphanylsulfanylethanoate
MOLECULAR FORMULA: C30H57O6PS3
MOLECULAR WEIGHT: 640.938741
SMILES: CC(C)CCCCCOC(=O)CSP(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
Structure:
CAS RN: 51032-53-2
CAS Name: 2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]thio]phosphinothio]acetic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxo-ethyl]sulfanyl]phosphanylsulfanylacetate
IUPAC Name: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]phosphanylsulfanylacetate
SYSTEMATIC NAME: 6-methylheptyl 2-bis[[2-(6-methylheptoxy)-2-oxidanylidene-ethyl]sulfanyl]phosphanylsulfanylethanoate
MOLECULAR FORMULA: C30H57O6PS3
MOLECULAR WEIGHT: 640.938741
SMILES: CC(C)CCCCCOC(=O)CSP(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
Structure:
CAS RN: 8063-38-5
CAS Name: O-(4-aminobutyl)hydroxylamine
OPENEYE Name: O-(4-aminobutyl)hydroxylamine
IUPAC Name: O-(4-aminobutyl)hydroxylamine
SYSTEMATIC NAME: O-(4-azanylbutyl)hydroxylamine
MOLECULAR FORMULA: C4H12N2O
MOLECULAR WEIGHT: 104.15088
SMILES: C(CCON)CN
Structure:
CAS RN: 12063-56-8
CAS Name: iron(3+); oxygen(2-); yttrium(3+)
OPENEYE Name: ferric; oxygen(2-); yttrium(3+)
IUPAC Name: iron(3+); oxygen(2-); yttrium(3+)
SYSTEMATIC NAME: iron(3+); oxygen(2-); yttrium(3+)
MOLECULAR FORMULA: FeO3Y
MOLECULAR WEIGHT: 192.74905
SMILES: [O-2].[O-2].[O-2].[Fe+3].[Y+3]
Structure:
CAS RN: 154852-48-9
CAS Name: iron(3+); oxygen(2-); yttrium(3+)
OPENEYE Name: ferric; oxygen(2-); yttrium(3+)
IUPAC Name: iron(3+); oxygen(2-); yttrium(3+)
SYSTEMATIC NAME: iron(3+); oxygen(2-); yttrium(3+)
MOLECULAR FORMULA: FeO3Y
MOLECULAR WEIGHT: 192.74905
SMILES: [O-2].[O-2].[O-2].[Fe+3].[Y+3]
Structure:
CAS RN: 440626-65-3
CAS Name: iron(3+); oxygen(2-); yttrium(3+)
OPENEYE Name: ferric; oxygen(2-); yttrium(3+)
IUPAC Name: iron(3+); oxygen(2-); yttrium(3+)
SYSTEMATIC NAME: iron(3+); oxygen(2-); yttrium(3+)
MOLECULAR FORMULA: FeO3Y
MOLECULAR WEIGHT: 192.74905
SMILES: [O-2].[O-2].[O-2].[Fe+3].[Y+3]
Structure:
CAS RN: 12045-25-9
CAS Name: sulfanylideneborinothioic acid
OPENEYE Name: thioxoborinothioic acid
IUPAC Name: sulfanylideneborinothioic acid
SYSTEMATIC NAME: sulfanylideneborinothioic acid
MOLECULAR FORMULA: BHS2
MOLECULAR WEIGHT: 75.94894
SMILES: B(=S)S
Structure:
CAS RN: 14255-61-9
CAS Name: (3S,8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3S,8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@@]1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4O)C)C)O
Structure:
CAS RN: 12040-57-2
CAS Name: iron(3+) trichloride
OPENEYE Name: ferric trichloride
IUPAC Name: iron(3+) trichloride
SYSTEMATIC NAME: iron(3+) trichloride
MOLECULAR FORMULA: Cl3Fe
MOLECULAR WEIGHT: 162.204
SMILES: [Cl-].[Cl-].[Cl-].[Fe+3]
Structure:
CAS RN: 14255-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H26ClN3O5
MOLECULAR WEIGHT: 531.98684
SMILES: CN1CC[C@]23[C@@H]4C1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7.Cl
Structure:
CAS RN: 12039-20-2
CAS Name: ytterbium(3+) trisulfide
OPENEYE Name: ytterbium(3+) trisulfide
IUPAC Name: ytterbium(3+) trisulfide
SYSTEMATIC NAME: ytterbium(3+) trisulfide
MOLECULAR FORMULA: S3Yb2
MOLECULAR WEIGHT: 442.275
SMILES: [S-2].[S-2].[S-2].[Yb+3].[Yb+3]
Structure:
CAS RN: 12038-13-0
CAS Name: praseodymium(3+) trisulfide
OPENEYE Name: praseodymium(3+) trisulfide
IUPAC Name: praseodymium(3+) trisulfide
SYSTEMATIC NAME: praseodymium(3+) trisulfide
MOLECULAR FORMULA: Pr2S3
MOLECULAR WEIGHT: 378.0103
SMILES: [S-2].[S-2].[S-2].[Pr+3].[Pr+3]
Structure:
CAS RN: 10101-38-9
CAS Name: zinc; oxygen(2-); titanium(4+)
OPENEYE Name: zinc; oxygen(2-); titanium(4+)
IUPAC Name: zinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: zinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O3TiZn
MOLECULAR WEIGHT: 161.2742
SMILES: [O-2].[O-2].[O-2].[Ti+4].[Zn+2]
Structure:
CAS RN: 12036-43-0
CAS Name: zinc; oxygen(2-); titanium(4+)
OPENEYE Name: zinc; oxygen(2-); titanium(4+)
IUPAC Name: zinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: zinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O3TiZn
MOLECULAR WEIGHT: 161.2742
SMILES: [O-2].[O-2].[O-2].[Ti+4].[Zn+2]
Structure:
CAS RN: 12651-25-1
CAS Name: zinc; oxygen(2-); titanium(4+)
OPENEYE Name: zinc; oxygen(2-); titanium(4+)
IUPAC Name: zinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: zinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O3TiZn
MOLECULAR WEIGHT: 161.2742
SMILES: [O-2].[O-2].[O-2].[Ti+4].[Zn+2]
Structure:
CAS RN: 613661-28-2
CAS Name: zinc; oxygen(2-); titanium(4+)
OPENEYE Name: zinc; oxygen(2-); titanium(4+)
IUPAC Name: zinc; oxygen(2-); titanium(4+)
SYSTEMATIC NAME: zinc; oxygen(2-); titanium(4+)
MOLECULAR FORMULA: O3TiZn
MOLECULAR WEIGHT: 161.2742
SMILES: [O-2].[O-2].[O-2].[Ti+4].[Zn+2]
Structure:
CAS RN: 12035-31-3
CAS Name: neodymium(3+); oxygen(2-); titanium(4+)
OPENEYE Name: neodymium(3+); oxygen(2-); titanium(4+)
IUPAC Name: neodymium(3+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: neodymium(3+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: Nd2O7Ti2
MOLECULAR WEIGHT: 496.2098
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Nd+3].[Nd+3]
Structure:
CAS RN: 195327-78-7
CAS Name: magnesium; oxygen(2-); zirconium(4+)
OPENEYE Name: magnesium; oxygen(2-); zirconium(4+)
IUPAC Name: magnesium; oxygen(2-); zirconium(4+)
SYSTEMATIC NAME: magnesium; oxygen(2-); zirconium(4+)
MOLECULAR FORMULA: MgO3Zr
MOLECULAR WEIGHT: 163.5272
SMILES: [O-2].[O-2].[O-2].[Mg+2].[Zr+4]
Structure:
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