CAS RN: 1088-37-5
CAS Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarboxaldehyde
OPENEYE Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
IUPAC Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
SYSTEMATIC NAME: (3aR,4S,5S,8R,8aR)-2,2,8-trimethyl-4-oxidanyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@H]1C=C([C@@H]([C@H]([C@H]2[C@@H]1CC(C2)(C)C)O)C=O)C=O
Structure:
CAS RN: 102420-56-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14O2
MOLECULAR WEIGHT: 310.34536
SMILES: C1=CC=C2C(=C1)C3=CC4=CC=CC5=C4C6=C(C=C5)[C@H]([C@@H](C2=C36)O)O
Structure:
CAS RN: 98566-24-6
CAS Name: [[2-[methyl(methylsulfonyl)amino]-2-oxoethyl]amino]methylphosphonic acid
OPENEYE Name: [[2-[methyl(methylsulfonyl)amino]-2-oxo-ethyl]amino]methylphosphonic acid
IUPAC Name: [[2-[methyl(methylsulfonyl)amino]-2-oxoethyl]amino]methylphosphonic acid
SYSTEMATIC NAME: [[2-[methyl(methylsulfonyl)amino]-2-oxidanylidene-ethyl]amino]methylphosphonic acid
MOLECULAR FORMULA: C5H13N2O6PS
MOLECULAR WEIGHT: 260.205281
SMILES: CN(C(=O)CNCP(=O)(O)O)S(=O)(=O)C
Structure:
CAS RN: 18378-89-7
CAS Name: (2S,3S)-2-[[(2S,4R,5R,6R)-4-[[(2S,4R,5S,6R)-4-[[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[[(2S,4R,5R,6R)-4-[[(2S,4R,5S,6R)
OPENEYE Name: (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-6-[(
IUPAC Name: (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dih
SYSTEMATIC NAME: (2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-7-methyl-6-[(2S,4R
MOLECULAR FORMULA: C52H76O24
MOLECULAR WEIGHT: 1085.14544
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O
Structure:
CAS RN: 110899-33-7
CAS Name: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate
OPENEYE Name: [(3S)-3-amino-3-carboxy-propyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate
IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-methyl-sulfanium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate
MOLECULAR FORMULA: C22H31N6O16S4-3
MOLECULAR WEIGHT: 763.77214
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 82391-15-9
CAS Name: 4-[[2-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
OPENEYE Name: 4-[[2-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-oxo-butanoyl]amino]-5-methoxy-2-methyl-benzenesulfonic acid
IUPAC Name: 4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-5-methoxy-2-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C22H27N3O14S3
MOLECULAR WEIGHT: 653.65648
SMILES: CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC
Structure:
CAS RN: 118013-66-4
CAS Name: (2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-2-a
OPENEYE Name: (2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoyl]amino]-4-carboxy-butanoyl]amino]-2-
IUPAC Name: (2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1
SYSTEMATIC NAME: (2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoy
MOLECULAR FORMULA: C37H59N7O20
MOLECULAR WEIGHT: 921.89926
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C
Structure:
CAS RN: 60782-58-3
CAS Name: trihexyl(hydroxy)silane
OPENEYE Name: trihexyl(hydroxy)silane
IUPAC Name: trihexyl(hydroxy)silane
SYSTEMATIC NAME: trihexyl(oxidanyl)silane
MOLECULAR FORMULA: C18H40OSi
MOLECULAR WEIGHT: 300.5951
SMILES: CCCCCC[Si](CCCCCC)(CCCCCC)O
Structure:
CAS RN: 91574-91-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C65H98ClN3O39
MOLECULAR WEIGHT: 1580.92332
SMILES: C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]
Structure:
CAS RN: 90015-45-5
CAS Name: N-(4-phenoxyphenyl)-N-(3-pyridinylmethyl)-4,5-dihydrothiazol-2-amine
OPENEYE Name: N-(4-phenoxyphenyl)-N-(3-pyridylmethyl)-4,5-dihydrothiazol-2-amine
IUPAC Name: N-(4-phenoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(4-phenoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C21H19N3OS
MOLECULAR WEIGHT: 361.46006
SMILES: C1CSC(=N1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4
Structure:
CAS RN: 89923-54-6
CAS Name: (1,2-dimethyl-3-indolyl)-(1,2-dimethyl-3-phenyl-4-imidazol-1-iumyl)diazene; methyl sulfate
OPENEYE Name: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenyl-imidazol-1-ium-4-yl)diazene; methyl sulfate
IUPAC Name: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenylimidazol-1-ium-4-yl)diazene; methyl sulfate
SYSTEMATIC NAME: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenyl-imidazol-1-ium-4-yl)diazene; methyl sulfate
MOLECULAR FORMULA: C22H25N5O4S
MOLECULAR WEIGHT: 455.53
SMILES: CC1=C(C2=CC=CC=C2N1C)N=NC3=C[N+](=C(N3C4=CC=CC=C4)C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 92908-58-2
CAS Name: (1,2-dimethyl-3-indolyl)-(1,2-dimethyl-3-phenyl-4-imidazol-1-iumyl)diazene; methyl sulfate
OPENEYE Name: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenyl-imidazol-1-ium-4-yl)diazene; methyl sulfate
IUPAC Name: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenylimidazol-1-ium-4-yl)diazene; methyl sulfate
SYSTEMATIC NAME: (1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenyl-imidazol-1-ium-4-yl)diazene; methyl sulfate
MOLECULAR FORMULA: C22H25N5O4S
MOLECULAR WEIGHT: 455.53
SMILES: CC1=C(C2=CC=CC=C2N1C)N=NC3=C[N+](=C(N3C4=CC=CC=C4)C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 86701-12-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H52N8O6S2
MOLECULAR WEIGHT: 756.97808
SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N1)C(C)C)[C@@H](C)CC)C(C)C
Structure:
CAS RN: 86102-30-9
CAS Name: N-[4,6-bis[bis(propan-2-ylthio)amino]-1,3,5-triazin-2-yl]-N-(propan-2-ylthio)-2-propanesulfenamide
OPENEYE Name: N2,N2,N4,N4,N6,N6-hexakis(isopropylsulfanyl)-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propan-2-ylsulfanyl)-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2,N2,N4,N4,N6,N6-hexakis(propan-2-ylsulfanyl)-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C21H42N6S6
MOLECULAR WEIGHT: 570.98838
SMILES: CC(C)SN(C1=NC(=NC(=N1)N(SC(C)C)SC(C)C)N(SC(C)C)SC(C)C)SC(C)C
Structure:
CAS RN: 85719-78-4
CAS Name: 4-[5-hydroxy-6-(2-hydroxy-3-methyl-4-methylene-2-oxolanyl)-1,3-dioxan-4-yl]piperidine-2,6-dione
OPENEYE Name: 4-[5-hydroxy-6-(2-hydroxy-3-methyl-4-methylene-tetrahydrofuran-2-yl)-1,3-dioxan-4-yl]piperidine-2,6-dione
IUPAC Name: 4-[5-hydroxy-6-(2-hydroxy-3-methyl-4-methylideneoxolan-2-yl)-1,3-dioxan-4-yl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[6-(3-methyl-4-methylidene-2-oxidanyl-oxolan-2-yl)-5-oxidanyl-1,3-dioxan-4-yl]piperidine-2,6-dione
MOLECULAR FORMULA: C15H21NO7
MOLECULAR WEIGHT: 327.32974
SMILES: CC1C(=C)COC1(C2C(C(OCO2)C3CC(=O)NC(=O)C3)O)O
Structure:
CAS RN: 82009-66-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C(C3=N2)C5C(O5)C(C4O)O
Structure:
CAS RN: 85617-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C(C(C5C4O5)O)O)N=C32
Structure:
CAS RN: 85617-40-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C5C(O5)C(C4O)O)N=C32
Structure:
CAS RN: 85648-44-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C5C(O5)C(C4O)O)N=C32
Structure:
CAS RN: 918-44-5
CAS Name: chromium(3+); hydron; 3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-5-nitro-2-oxidobenzenesulfonate; hydroxide
OPENEYE Name: chromic; hydron; 3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-5-nitro-2-oxido-benzenesulfonate; hydroxide
IUPAC Name: chromium(3+); hydron; 3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate; hydroxide
SYSTEMATIC NAME: chromium(3+); hydron; 3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidanidyl-benzenesulfonate; hydroxide
MOLECULAR FORMULA: C16H12CrN5O8S
MOLECULAR WEIGHT: 486.35628
SMILES: [H+].CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-])C3=CC=CC=C3.[OH-].[Cr+3]
Structure:
CAS RN: 84627-04-3
CAS Name: 2-[(4-hydroxy-3-phenylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(4-hydroxy-3-phenyl-benzoyl)benzoic acid
IUPAC Name: 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(4-oxidanyl-3-phenyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C20H14O4
MOLECULAR WEIGHT: 318.32276
SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
Structure:
CAS RN: 85187-37-7
CAS Name: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; 2-[(4-hydroxy-3-phenylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 2-(4-hydroxy-3-phenyl-benzoyl)benzoic acid
IUPAC Name: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
SYSTEMATIC NAME: 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 2-(4-oxidanyl-3-phenyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C40H38ClNO5
MOLECULAR WEIGHT: 648.18642
SMILES: C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
Structure:
CAS RN: 85188-69-8
CAS Name: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; 2-[(4-hydroxy-3-phenylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 2-(4-hydroxy-3-phenyl-benzoyl)benzoic acid
IUPAC Name: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
SYSTEMATIC NAME: 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 2-(4-oxidanyl-3-phenyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C40H38ClNO5
MOLECULAR WEIGHT: 648.18642
SMILES: C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
Structure:
CAS RN: 787-44-0
CAS Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethyl-propan-2-amine
IUPAC Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C20H24ClN3O2S
MOLECULAR WEIGHT: 405.94146
SMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)N(C)C
Structure:
CAS RN: 72797-19-4
CAS Name: 2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]-5-pyrimidinyl]azo]benzenesulfonic acid
OPENEYE Name: 2,5-dichloro-4-[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]pyrimidin-5-yl]azo-benzenesulfonic acid
IUPAC Name: 2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]pyrimidin-5-yl]diazenyl]benzenesulfonic acid
SYSTEMATIC NAME: 2,5-bis(chloranyl)-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]pyrimidin-5-yl]diazenyl]benzenesulfonic acid
MOLECULAR FORMULA: C27H34Cl2N6O6S2
MOLECULAR WEIGHT: 673.63146
SMILES: CCCCN(CCCC)C1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C
Structure:
CAS RN: 102710-38-3
CAS Name: sodium; chromium(3+); 5-methyl-4-(5-methyl-2-oxido-4-sulfamoylphenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic sodium 5-methyl-4-(5-methyl-2-oxido-4-sulfamoyl-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 5-methyl-4-[(5-methyl-2-oxido-4-sulfamoylphenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; chromium(3+); 5-methyl-4-[(5-methyl-2-oxidanidyl-4-sulfamoyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C34H30CrN10NaO8S2
MOLECULAR WEIGHT: 845.78007
SMILES: CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].[Na+].[Cr+3]
Structure:
CAS RN: 72894-31-6
CAS Name: disodium 1-amino-4-[4-[[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]-methylamino]methyl]-2-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: disodium 1-amino-4-[4-[[(2,3-dichloroquinoxaline-6-carbonyl)-methyl-amino]methyl]-2-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: disodium 1-amino-4-[4-[[(2,3-dichloroquinoxaline-6-carbonyl)-methylamino]methyl]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: disodium 1-azanyl-4-[[4-[[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonyl-methyl-amino]methyl]-2-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C31H19Cl2N5Na2O9S2
MOLECULAR WEIGHT: 786.5262
SMILES: CN(CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C5=CC6=C(C=C5)N=C(C(=N6)Cl)Cl.[Na+].[Na+]
Structure:
CAS RN: 87954-40-3
CAS Name: sodium; 5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)-4-pyrazolyl]azo]-2-oxidobenzenesulfonate; chromium(3+)
OPENEYE Name: chromic sodium 5-chloro-3-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-2-oxido-benzenesulfonate
IUPAC Name: sodium; 5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate; chromium(3+)
SYSTEMATIC NAME: sodium; 5-chloranyl-3-[[3-methyl-5-oxidanidyl-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidanidyl-benzenesulfonate; chromium(3+)
MOLECULAR FORMULA: C16H9ClCrN4NaO8S2
MOLECULAR WEIGHT: 559.83353
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])Cl)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Cr+3]
Structure:
CAS RN: 82933-88-8
CAS Name: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxido-4-pyrazolyl]azo]-4-sulfonatobenzoate
OPENEYE Name: chromic sodium 2-[3-methyl-1-(3-methyl-5-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-sulfonato-benzoate
IUPAC Name: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate
SYSTEMATIC NAME: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-sulfonato-benzoate
MOLECULAR FORMULA: C18H12CrN4NaO9S2
MOLECULAR WEIGHT: 567.42515
SMILES: CC1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-].[Na+].[Cr+3]
Structure:
CAS RN: 82824-00-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H38N4O6
MOLECULAR WEIGHT: 598.68872
SMILES: CN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O
Structure:
CAS RN: 31094-40-3
CAS Name: 3-amino-2-hydroxybenzenesulfonic acid
OPENEYE Name: 3-amino-2-hydroxy-benzenesulfonic acid
IUPAC Name: 3-amino-2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 3-azanyl-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H7NO4S
MOLECULAR WEIGHT: 189.18908
SMILES: C1=CC(=C(C(=C1)S(=O)(=O)O)O)N
Structure:
CAS RN: 67542-41-0
CAS Name: 1,3-bis[(2-oxo-1-pyrrolidinyl)methyl]urea
OPENEYE Name: 1,3-bis[(2-oxopyrrolidin-1-yl)methyl]urea
IUPAC Name: 1,3-bis[(2-oxopyrrolidin-1-yl)methyl]urea
SYSTEMATIC NAME: 1,3-bis[(2-oxidanylidenepyrrolidin-1-yl)methyl]urea
MOLECULAR FORMULA: C11H18N4O3
MOLECULAR WEIGHT: 254.28562
SMILES: C1CC(=O)N(C1)CNC(=O)NCN2CCCC2=O
Structure:
CAS RN: 65573-02-6
CAS Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride
OPENEYE Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
IUPAC Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
SYSTEMATIC NAME: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
MOLECULAR FORMULA: C14H26Cl3N7S
MOLECULAR WEIGHT: 430.82714
SMILES: CC1=C(N=CN1)CSCCNC(=NCCCC2=CN=CN2)N.Cl.Cl.Cl
Structure:
CAS RN: 42116-77-8
CAS Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
OPENEYE Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
IUPAC Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SYSTEMATIC NAME: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: C1CN2C(CN=C2N1)C3=CC=CC=C3
Structure:
CAS RN: 60719-87-1
CAS Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
OPENEYE Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
IUPAC Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SYSTEMATIC NAME: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: C1CN2C(CN=C2N1)C3=CC=CC=C3
Structure:
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