CAS RN: 56714-88-6
CAS Name: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenylpropane-1,3-diamine
OPENEYE Name: N-ethyl-N'-indan-2-yl-N'-phenyl-propane-1,3-diamine
IUPAC Name: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenylpropane-1,3-diamine
SYSTEMATIC NAME: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenyl-propane-1,3-diamine
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CCNCCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3
Structure:
CAS RN: 5672-23-1
CAS Name: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenylpropane-1,3-diamine
OPENEYE Name: N-ethyl-N'-indan-2-yl-N'-phenyl-propane-1,3-diamine
IUPAC Name: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenylpropane-1,3-diamine
SYSTEMATIC NAME: N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenyl-propane-1,3-diamine
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CCNCCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3
Structure:
CAS RN: 52682-84-5
CAS Name: disodium; (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1-isobenzofuranyl]benzenesulfonate
OPENEYE Name: disodium; (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid; 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonato-phenyl)-3-oxo-isobenzofuran-1-yl]benzenesulfonate
IUPAC Name: disodium; (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid; 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium; (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; 2-oxidanyl-5-[4,5,6,7-tetrakis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfonato-phenyl)-2-benzofuran-1-yl]benze
MOLECULAR FORMULA: C30H25Br4N3Na2O16S3
MOLECULAR WEIGHT: 1145.32054
SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.[Na+].[Na+]
Structure:
CAS RN: 36010-61-4
CAS Name: disodium; chromium(3+); 3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-4-oxidobenzenesulfonate; 1-(2-oxido-5-phenyldiazenylphenyl)azo-2-naphthalenolate
OPENEYE Name: chromic; disodium; 3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-4-oxido-benzenesulfonate; 1-(2-oxido-5-phenylazo-phenyl)azonaphthalen-2-olate
IUPAC Name: disodium; chromium(3+); 3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzenesulfonate; 1-[(2-oxido-5-phenyldiazenylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: disodium; chromium(3+); 3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-4-oxidanidyl-benzenesulfonate; 1-[(2-oxidanidyl-5-phenyldiazenyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C38H25CrN8Na2O7S
MOLECULAR WEIGHT: 835.69514
SMILES: CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)[O-])N=NC3=C(C=CC4=CC=CC=C43)[O-].[Na+].[Na+].[Cr+3]
Structure:
CAS RN: 56247-94-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H58O6
MOLECULAR WEIGHT: 586.84212
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=CC23[C@@]1([C@@H](C(=C[C@@H](C2=O)C4C(C4(C)C)C[C@H]3C)CO)O)O)C
Structure:
CAS RN: 56253-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H58O6
MOLECULAR WEIGHT: 586.84212
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=CC23[C@@]1([C@@H](C(=C[C@@H](C2=O)C4C(C4(C)C)C[C@H]3C)CO)O)O)C
Structure:
CAS RN: 113346-59-1
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(tritritiomethyl)pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O5
MOLECULAR WEIGHT: 248.252888
SMILES: [3H]C([3H])([3H])C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 52497-68-4
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(tritritiomethyl)pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O5
MOLECULAR WEIGHT: 248.252888
SMILES: [3H]C([3H])([3H])C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 19619-43-3
CAS Name: dipotassium nonanedioate
OPENEYE Name: dipotassium nonanedioate
IUPAC Name: dipotassium nonanedioate
SYSTEMATIC NAME: dipotassium nonanedioate
MOLECULAR FORMULA: C9H14K2O4
MOLECULAR WEIGHT: 264.40166
SMILES: C(CCCC(=O)[O-])CCCC(=O)[O-].[K+].[K+]
Structure:
CAS RN: 50497-83-1
CAS Name: chromium(3+); 1-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-2-naphthalenone; hydron; 1-(5-nitro-2-oxidophenyl)azo-2-naphthalenolate
OPENEYE Name: chromic; 1-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-2-one; hydron; 1-(5-nitro-2-oxido-phenyl)azonaphthalen-2-olate
IUPAC Name: chromium(3+); 1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; hydron; 1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: 1-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; chromium(3+); hydron; 1-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H19CrN6O8
MOLECULAR WEIGHT: 667.52476
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Cr+3]
Structure:
CAS RN: 52277-71-1
CAS Name: chromium(3+); 1-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-2-naphthalenone; hydron; 1-(5-nitro-2-oxidophenyl)azo-2-naphthalenolate
OPENEYE Name: chromic; 1-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-2-one; hydron; 1-(5-nitro-2-oxido-phenyl)azonaphthalen-2-olate
IUPAC Name: chromium(3+); 1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; hydron; 1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: 1-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; chromium(3+); hydron; 1-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H19CrN6O8
MOLECULAR WEIGHT: 667.52476
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Cr+3]
Structure:
CAS RN: 52212-90-5
CAS Name: 9,10-dimethoxy-2-anthracenesulfonic acid
OPENEYE Name: 9,10-dimethoxyanthracene-2-sulfonic acid
IUPAC Name: 9,10-dimethoxyanthracene-2-sulfonic acid
SYSTEMATIC NAME: 9,10-dimethoxyanthracene-2-sulfonic acid
MOLECULAR FORMULA: C16H14O5S
MOLECULAR WEIGHT: 318.34436
SMILES: COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)O
Structure:
CAS RN: 52198-87-5
CAS Name: 3-[[[2-[2-[2-[[2-[[4-[[2-[[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[3-[[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-(1
OPENEYE Name: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyra
IUPAC Name: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol
SYSTEMATIC NAME: 3-[[2-[2-[2-[[2-[[4-[[3-[3-[4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[3-azanyl-1-[[2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-py
MOLECULAR FORMULA: C55H86N17O21S3+
MOLECULAR WEIGHT: 1417.56764
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
Structure:
CAS RN: 52109-93-0
CAS Name: 2-(1-hydroxycyclopentyl)-2-phenylacetic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenyl-acetate
IUPAC Name: 2-(diethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
Structure:
CAS RN: 52108-54-0
CAS Name: zinc; 2-ethyl-1-hexanol; hydrogen phosphate
OPENEYE Name: zinc; 2-ethylhexan-1-ol; hydrogen phosphate
IUPAC Name: zinc; 2-ethylhexan-1-ol; hydrogen phosphate
SYSTEMATIC NAME: zinc; 2-ethylhexan-1-ol; hydrogen phosphate
MOLECULAR FORMULA: C8H19O5PZn
MOLECULAR WEIGHT: 291.616221
SMILES: CCCCC(CC)CO.OP(=O)([O-])[O-].[Zn+2]
Structure:
CAS RN: 5469-22-7
CAS Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
OPENEYE Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
IUPAC Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-3,11,17-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C21H34O6
MOLECULAR WEIGHT: 382.49106
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](C(=O)O)O)O)C)O)O
Structure:
CAS RN: 54692-48-7
CAS Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
OPENEYE Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
IUPAC Name: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-3,11,17-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C21H34O6
MOLECULAR WEIGHT: 382.49106
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](C(=O)O)O)O)C)O)O
Structure:
CAS RN: 5469-20-5
CAS Name: (2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
OPENEYE Name: (2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-acetic acid
IUPAC Name: (2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
SYSTEMATIC NAME: (2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-11-oxidanylidene-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@H](C(=O)O)O)O)C)O
Structure:
CAS RN: 51762-67-5
CAS Name: 3-nitrobenzene-1,2-dicarbonitrile
OPENEYE Name: 3-nitrophthalonitrile
IUPAC Name: 3-nitrobenzene-1,2-dicarbonitrile
SYSTEMATIC NAME: 3-nitrobenzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C8H3N3O2
MOLECULAR WEIGHT: 173.12832
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N
Structure:
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