CAS RN: 62156-81-4
CAS Name: bis[2-(phenylthio)phenyl]diazene
OPENEYE Name: bis(2-phenylsulfanylphenyl)diazene
IUPAC Name: bis(2-phenylsulfanylphenyl)diazene
SYSTEMATIC NAME: bis(2-phenylsulfanylphenyl)diazene
MOLECULAR FORMULA: C24H18N2S2
MOLECULAR WEIGHT: 398.54312
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2N=NC3=CC=CC=C3SC4=CC=CC=C4
Structure:
CAS RN: 27578-78-5
CAS Name: N-[bis(2-chloroethyl)amino-(2,6-dimethylanilino)phosphoryl]-2,6-dimethylaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2,6-dimethylanilino)phosphoryl]-2,6-dimethyl-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(2,6-dimethylanilino)phosphoryl]-2,6-dimethylaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[(2,6-dimethylphenyl)amino]phosphoryl]-2,6-dimethyl-aniline
MOLECULAR FORMULA: C20H28Cl2N3OP
MOLECULAR WEIGHT: 428.335581
SMILES: CC1=C(C(=CC=C1)C)NP(=O)(NC2=C(C=CC=C2C)C)N(CCCl)CCCl
Structure:
CAS RN: 27578-77-4
CAS Name: N-[bis(2-chloroethyl)amino-(2,5-dimethylanilino)phosphoryl]-2,5-dimethylaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2,5-dimethylanilino)phosphoryl]-2,5-dimethyl-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(2,5-dimethylanilino)phosphoryl]-2,5-dimethylaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[(2,5-dimethylphenyl)amino]phosphoryl]-2,5-dimethyl-aniline
MOLECULAR FORMULA: C20H28Cl2N3OP
MOLECULAR WEIGHT: 428.335581
SMILES: CC1=CC(=C(C=C1)C)NP(=O)(NC2=C(C=CC(=C2)C)C)N(CCCl)CCCl
Structure:
CAS RN: 20562-36-1
CAS Name: 2-[[2-(2-methoxyphenyl)cyclohexyl]thio]acetic acid
OPENEYE Name: 2-[2-(2-methoxyphenyl)cyclohexyl]sulfanylacetic acid
IUPAC Name: 2-[2-(2-methoxyphenyl)cyclohexyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(2-methoxyphenyl)cyclohexyl]sulfanylethanoic acid
MOLECULAR FORMULA: C15H20O3S
MOLECULAR WEIGHT: 280.3825
SMILES: COC1=CC=CC=C1C2CCCCC2SCC(=O)O
Structure:
CAS RN: 3340-18-9
CAS Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid
OPENEYE Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid
IUPAC Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-[[2-(phenylcarbonyl)-2H-pyridin-1-yl]methyl]benzenesulfonic acid
MOLECULAR FORMULA: C19H17NO4S
MOLECULAR WEIGHT: 355.40758
SMILES: C1=CC=C(C=C1)C(=O)C2C=CC=CN2CC3=CC=CC=C3S(=O)(=O)O
Structure:
CAS RN: 13897-09-1
CAS Name: thiazolo[2,3-b][1,3]benzothiazol-9-ium
OPENEYE Name: thiazolo[2,3-b][1,3]benzothiazol-9-ium
IUPAC Name: [1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium
SYSTEMATIC NAME: [1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium
MOLECULAR FORMULA: C9H6NS2+
MOLECULAR WEIGHT: 192.28064
SMILES: C1=CC=C2C(=C1)[N+]3=C(S2)SC=C3
Structure:
CAS RN: 6914-12-1
CAS Name: 2-[[[3-bromo-5-chloro-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3-bromanyl-5-chloranyl-phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H20BrClN8O5
MOLECULAR WEIGHT: 567.7804
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)NC(CCC(=O)O)C(=O)O)Cl
Structure:
CAS RN: 17397-11-4
CAS Name: 4-nitrobenzoic acid (3-cyclopropyl-2,4-dimethylpentan-3-yl) ester
OPENEYE Name: (1-cyclopropyl-1-isopropyl-2-methyl-propyl) 4-nitrobenzoate
IUPAC Name: (3-cyclopropyl-2,4-dimethylpentan-3-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (3-cyclopropyl-2,4-dimethyl-pentan-3-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CC(C)C(C1CC1)(C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 32025-41-5
CAS Name: 2-benzoylbenzoic acid (diphenylmethyl) ester
OPENEYE Name: benzhydryl 2-benzoylbenzoate
IUPAC Name: benzhydryl 2-benzoylbenzoate
SYSTEMATIC NAME: (diphenylmethyl) 2-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C27H20O3
MOLECULAR WEIGHT: 392.4459
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4
Structure:
CAS RN: 6422-36-2
CAS Name: 2-[[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid
OPENEYE Name: 2-(pyrrolidine-2-carbonylamino)propanoic acid
IUPAC Name: 2-(pyrrolidine-2-carbonylamino)propanoic acid
SYSTEMATIC NAME: 2-(pyrrolidin-2-ylcarbonylamino)propanoic acid
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: CC(C(=O)O)NC(=O)C1CCCN1
Structure:
CAS RN: 13485-59-1
CAS Name: 1-(2-amino-1-oxopropyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-azanylpropanoyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: CC(C(=O)N1CCCC1C(=O)O)N
Structure:
CAS RN: 5589-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H40O6
MOLECULAR WEIGHT: 472.6136
SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO
Structure:
CAS RN: 69052-93-3
CAS Name: 2-(diphenylmethyl)-2-phenylhexanenitrile
OPENEYE Name: 2-benzhydryl-2-phenyl-hexanenitrile
IUPAC Name: 2-benzhydryl-2-phenylhexanenitrile
SYSTEMATIC NAME: 2-(diphenylmethyl)-2-phenyl-hexanenitrile
MOLECULAR FORMULA: C25H25N
MOLECULAR WEIGHT: 339.4727
SMILES: CCCCC(C#N)(C1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 13990-66-4
CAS Name: (2-benzoylphenyl)methyl-trimethylammonium
OPENEYE Name: (2-benzoylphenyl)methyl-trimethyl-ammonium
IUPAC Name: (2-benzoylphenyl)methyl-trimethylazanium
SYSTEMATIC NAME: trimethyl-[[2-(phenylcarbonyl)phenyl]methyl]azanium
MOLECULAR FORMULA: C17H20NO+
MOLECULAR WEIGHT: 254.3468
SMILES: C[N+](C)(C)CC1=CC=CC=C1C(=O)C2=CC=CC=C2
Structure:
CAS RN: 40910-99-4
CAS Name: hexadecanoic acid [6-[[3,4-bis(1-oxohexadecoxy)-2,5-bis(1-oxohexadecoxymethyl)-2-oxolanyl]oxy]-3,4,5-tris(1-oxohexadecoxy)-2-oxanyl]methyl ester
OPENEYE Name: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)tetrahydropyran-2-yl]methyl hexadecanoate
IUPAC Name: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
SYSTEMATIC NAME: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
MOLECULAR FORMULA: C140H262O19
MOLECULAR WEIGHT: 2249.56688
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 39024-75-4
CAS Name: hexadecanoic acid [6-[[3,4-bis(1-oxohexadecoxy)-2,5-bis(1-oxohexadecoxymethyl)-2-oxolanyl]oxy]-3,4,5-tris(1-oxohexadecoxy)-2-oxanyl]methyl ester
OPENEYE Name: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)tetrahydropyran-2-yl]methyl hexadecanoate
IUPAC Name: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
SYSTEMATIC NAME: [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
MOLECULAR FORMULA: C140H262O19
MOLECULAR WEIGHT: 2249.56688
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 58272-25-6
CAS Name: boric acid; tetramethylammonium
OPENEYE Name: boric acid; tetramethylammonium
IUPAC Name: boric acid; tetramethylazanium
SYSTEMATIC NAME: boric acid; tetramethylazanium
MOLECULAR FORMULA: C4H15BNO3+
MOLECULAR WEIGHT: 135.9778
SMILES: B(O)(O)O.C[N+](C)(C)C
Structure:
CAS RN: 6142-42-3
CAS Name: 3-[[diethylamino(sulfanylidene)methyl]thio]-1-propanesulfonic acid
OPENEYE Name: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid
IUPAC Name: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid
SYSTEMATIC NAME: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid
MOLECULAR FORMULA: C8H17NO3S3
MOLECULAR WEIGHT: 271.42048
SMILES: CCN(CC)C(=S)SCCCS(=O)(=O)O
Structure:
CAS RN: 14239-07-7
CAS Name: cobalt; oxalic acid
OPENEYE Name: cobalt; oxalic acid
IUPAC Name: cobalt; oxalic acid
SYSTEMATIC NAME: cobalt; ethanedioic acid
MOLECULAR FORMULA: C6H6CoO12
MOLECULAR WEIGHT: 329.03784
SMILES: C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Co]
Structure:
CAS RN: 83249-56-3
CAS Name: 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
IUPAC Name: ethyl 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
SYSTEMATIC NAME: ethyl 2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoate
MOLECULAR FORMULA: C20H21I2NO5
MOLECULAR WEIGHT: 609.19338
SMILES: CCOC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)NC(=O)C
Structure:
CAS RN: 22904-94-5
CAS Name: trimethyl-(1-phenylcyclohexyl)ammonium
OPENEYE Name: trimethyl-(1-phenylcyclohexyl)ammonium
IUPAC Name: trimethyl-(1-phenylcyclohexyl)azanium
SYSTEMATIC NAME: trimethyl-(1-phenylcyclohexyl)azanium
MOLECULAR FORMULA: C15H24N+
MOLECULAR WEIGHT: 218.35776
SMILES: C[N+](C)(C)C1(CCCCC1)C2=CC=CC=C2
Structure:
CAS RN: 38274-35-0
CAS Name: 1,2,3-triphenyl-1H-indene
OPENEYE Name: 1,2,3-triphenyl-1H-indene
IUPAC Name: 1,2,3-triphenyl-1H-indene
SYSTEMATIC NAME: 1,2,3-triphenyl-1H-indene
MOLECULAR FORMULA: C27H20
MOLECULAR WEIGHT: 344.4477
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 22787-75-3
CAS Name: 2-[[2-(2,3,4-trimethoxyphenyl)cyclohexyl]thio]acetic acid
OPENEYE Name: 2-[2-(2,3,4-trimethoxyphenyl)cyclohexyl]sulfanylacetic acid
IUPAC Name: 2-[2-(2,3,4-trimethoxyphenyl)cyclohexyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(2,3,4-trimethoxyphenyl)cyclohexyl]sulfanylethanoic acid
MOLECULAR FORMULA: C17H24O5S
MOLECULAR WEIGHT: 340.43446
SMILES: COC1=C(C(=C(C=C1)C2CCCCC2SCC(=O)O)OC)OC
Structure:
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