CAS RN: 25915-57-5
CAS Name: dodecanoic acid [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-(1-oxododecoxy)-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-2-dodecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] dodecanoate
IUPAC Name: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2-dodecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] dodecanoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-dodecanoyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] dodecanoate
MOLECULAR FORMULA: C36H66O13
MOLECULAR WEIGHT: 706.90144
SMILES: CCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@]1([C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)OC(=O)CCCCCCCCCCC)CO)O)O
Structure:
CAS RN: 1531-25-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23NO
MOLECULAR WEIGHT: 257.37062
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3)C=C1
Structure:
CAS RN: 58470-74-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H17N3O3S
MOLECULAR WEIGHT: 415.46438
SMILES: CN1C(=O)C(=C2C3=CC=CC4=C(C=CC(=C43)N2)SC5=CC=CC=C5)C(=O)N(C1=O)C
Structure:
CAS RN: 58470-73-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H17N3O4
MOLECULAR WEIGHT: 411.40948
SMILES: CN1C(=O)C(=C2C3=CC=CC4=C(C=CC(=C43)N2)C(=O)C5=CC=CC=C5)C(=O)N(C1=O)C
Structure:
CAS RN: 58376-56-0
CAS Name: 6-phenyl-N-(1,2,4-triazol-3-ylideneamino)-5-imidazo[2,1-b]thiazolamine
OPENEYE Name: 6-phenyl-N-(1,2,4-triazol-3-ylideneamino)imidazo[2,1-b]thiazol-5-amine
IUPAC Name: 6-phenyl-N-(1,2,4-triazol-3-ylideneamino)imidazo[2,1-b][1,3]thiazol-5-amine
SYSTEMATIC NAME: 6-phenyl-N-(1,2,4-triazol-3-ylideneamino)imidazo[2,1-b][1,3]thiazol-5-amine
MOLECULAR FORMULA: C13H9N7S
MOLECULAR WEIGHT: 295.32246
SMILES: C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)NN=C4N=CN=N4
Structure:
CAS RN: 57605-30-8
CAS Name: (E)-3-methoxy-2-[(2R)-2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-2-butenoic acid (diphenylmethyl) ester
OPENEYE Name: benzhydryl (E)-3-methoxy-2-[(4R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-2-enoate
IUPAC Name: benzhydryl (E)-3-methoxy-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-2-enoate
SYSTEMATIC NAME: (diphenylmethyl) (E)-3-methoxy-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-2-enoate
MOLECULAR FORMULA: C36H34N2O8S2
MOLECULAR WEIGHT: 686.79376
SMILES: CC1=CC=C(C=C1)S(=O)(=O)S[C@@H]2C(C(=O)N2/C(=C(\C)/OC)/C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5
Structure:
CAS RN: 57564-13-3
CAS Name: N-[2-[2-(4,5-dicyano-2-imidazolylidene)hydrazinyl]-5-(diethylamino)phenyl]acetamide
OPENEYE Name: N-[2-[2-(4,5-dicyanoimidazol-2-ylidene)hydrazino]-5-(diethylamino)phenyl]acetamide
IUPAC Name: N-[2-[2-(4,5-dicyanoimidazol-2-ylidene)hydrazinyl]-5-(diethylamino)phenyl]acetamide
SYSTEMATIC NAME: N-[2-[2-(4,5-dicyanoimidazol-2-ylidene)hydrazinyl]-5-(diethylamino)phenyl]ethanamide
MOLECULAR FORMULA: C17H18N8O
MOLECULAR WEIGHT: 350.37782
SMILES: CCN(CC)C1=CC(=C(C=C1)NN=C2N=C(C(=N2)C#N)C#N)NC(=O)C
Structure:
CAS RN: 57561-98-5
CAS Name: (Z)-3-methoxy-2-[(2R)-2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-2-butenoic acid (diphenylmethyl) ester
OPENEYE Name: benzhydryl (Z)-3-methoxy-2-[(4R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-2-enoate
IUPAC Name: benzhydryl (Z)-3-methoxy-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-2-enoate
SYSTEMATIC NAME: (diphenylmethyl) (Z)-3-methoxy-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-2-enoate
MOLECULAR FORMULA: C36H34N2O8S2
MOLECULAR WEIGHT: 686.79376
SMILES: CC1=CC=C(C=C1)S(=O)(=O)S[C@@H]2C(C(=O)N2/C(=C(/C)\OC)/C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5
Structure:
CAS RN: 57561-95-2
CAS Name: (2R)-3-methyl-2-[(2R)-2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid (diphenylmethyl) ester
OPENEYE Name: benzhydryl (2R)-3-methyl-2-[(4R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-3-enoate
IUPAC Name: benzhydryl (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate
SYSTEMATIC NAME: (diphenylmethyl) (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate
MOLECULAR FORMULA: C36H34N2O7S2
MOLECULAR WEIGHT: 670.79436
SMILES: CC1=CC=C(C=C1)S(=O)(=O)S[C@@H]2C(C(=O)N2[C@H](C(=C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5
Structure:
CAS RN: 57561-88-3
CAS Name: N-[1-[(E)-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-azetidinyl]-2-phenoxyacetamide
OPENEYE Name: N-[1-[(1E)-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-propyl]-2-oxo-4-(p-tolylsulfonylsulfanyl)azetidin-3-yl]-2-phenoxy-acetamide
IUPAC Name: N-[1-[(E)-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-2-(4-methylphenyl)sulfonylsulfanyl-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: N-[2-(4-methylphenyl)sulfonylsulfanyl-1-[(E)-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-3-yl]-2-phenoxy-ethanamide
MOLECULAR FORMULA: C29H27N3O10S2
MOLECULAR WEIGHT: 641.66878
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2/C(=C(\O)/OCC3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C)NC(=O)COC4=CC=CC=C4
Structure:
CAS RN: 73160-32-4
CAS Name: N-[[(Z)-butan-2-ylideneamino]oxy-ethenyl-methylsilyl]oxy-2-butanimine
OPENEYE Name: N-[methyl-[(Z)-1-methylpropylideneamino]oxy-vinyl-silyl]oxybutan-2-imine
IUPAC Name: N-[[(Z)-butan-2-ylideneamino]oxy-ethenyl-methylsilyl]oxybutan-2-imine
SYSTEMATIC NAME: N-[[(Z)-butan-2-ylideneamino]oxy-ethenyl-methyl-silyl]oxybutan-2-imine
MOLECULAR FORMULA: C11H22N2O2Si
MOLECULAR WEIGHT: 242.39008
SMILES: CC/C(=N/O[Si](C)(C=C)O/N=C(/C)\CC)/C
Structure:
CAS RN: 70247-69-7
CAS Name: disodium (4E)-4-[[2-hydroxy-4-[[4-[4-[[[3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonato-1-naphthalenylidene)hydrazinyl]phenyl]-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyanilino]-oxomethyl]phenyl]hydrazinylidene]-3-oxo-1-naphthalenesulfonate
OPENEYE Name: disodium (4E)-4-[[2-hydroxy-4-[[4-[4-[[3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonato-1-naphthylidene)hydrazino]benzoyl]amino]-3-methoxy-phenyl]-2-methoxy-phenyl]carbamoyl]phenyl]hydrazono]-3-oxo-naphthalene-1-sulfonate
IUPAC Name: disodium (4E)-4-[[2-hydroxy-4-[[4-[4-[[3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonatonaphthalen-1-ylidene)hydrazinyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]carbamoyl]phenyl]hydrazinylidene]-3-oxonaphthalene-1-sulfonate
SYSTEMATIC NAME: disodium (4E)-4-[[4-[[2-methoxy-4-[3-methoxy-4-[[3-oxidanyl-4-[(2Z)-2-(2-oxidanylidene-4-sulfonato-naphthalen-1-ylidene)hydrazinyl]phenyl]carbonylamino]phenyl]phenyl]carbamoyl]-2-oxidanyl-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonate
MOLECULAR FORMULA: C48H34N6Na2O14S2
MOLECULAR WEIGHT: 1028.9249
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N/N=C\4/C5=CC=CC=C5C(=CC4=O)S(=O)(=O)[O-])O)OC)NC(=O)C6=CC(=C(C=C6)N/N=C/7\C8=CC=CC=C8C(=CC7=O)S(=O)(=O)[O-])O.[Na+].[Na+]
Structure:
CAS RN: 69975-77-5
CAS Name: 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxo-1-benzopyran-8-yl)-4-methoxy-5-methyl-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxo-chromen-8-yl)-4-methoxy-5-methyl-chromen-2-one
IUPAC Name: 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one
SYSTEMATIC NAME: 4-methoxy-8-(4-methoxy-5-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-5-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C22H18O8
MOLECULAR WEIGHT: 410.37352
SMILES: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)O)O
Structure:
CAS RN: 68400-36-2
CAS Name: disodium 5-amino-3-[[2-methyl-4-[3-methyl-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: disodium 5-amino-3-[[2-methyl-4-[3-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]phenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: disodium 5-amino-3-[[2-methyl-4-[3-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 5-azanyl-3-[[2-methyl-4-[3-methyl-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C36H26N8Na2O10S2
MOLECULAR WEIGHT: 840.74878
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)NN=C6C=CC(=O)C=C6.[Na+].[Na+]
Structure:
CAS RN: 68123-13-7
CAS Name: [3-[(4,8-diamino-6-bromo-1,5-dioxo-2-naphthalenyl)amino]phenyl]-trimethylammonium chloride
OPENEYE Name: [3-[(4,8-diamino-6-bromo-1,5-dioxo-2-naphthyl)amino]phenyl]-trimethyl-ammonium chloride
IUPAC Name: [3-[(4,8-diamino-6-bromo-1,5-dioxonaphthalen-2-yl)amino]phenyl]-trimethylazanium chloride
SYSTEMATIC NAME: [3-[[4,8-bis(azanyl)-6-bromanyl-1,5-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C19H20BrClN4O2
MOLECULAR WEIGHT: 451.7447
SMILES: C[N+](C)(C)C1=CC=CC(=C1)NC2=CC(=C3C(=C(C=C(C3=O)Br)N)C2=O)N.[Cl-]
Structure:
CAS RN: 52299-14-6
CAS Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H25N5O8
MOLECULAR WEIGHT: 451.4305
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O
Structure:
CAS RN: 42922-74-7
CAS Name: octanoic acid [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] octanoate
IUPAC Name: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octanoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] octanoate
MOLECULAR FORMULA: C20H36O12
MOLECULAR WEIGHT: 468.49264
SMILES: CCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
Structure:
CAS RN: 38784-08-6
CAS Name: 3-bromo-2-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-3-methyl-2-oxolanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenzoic acid
OPENEYE Name: 3-bromo-2-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-6-hydroxy-5-methyl-benzoic acid
IUPAC Name: 3-bromo-2-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenzoic acid
SYSTEMATIC NAME: 3-bromanyl-2-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-5-methyl-6-oxidanyl-benzoic acid
MOLECULAR FORMULA: C34H53BrO8
MOLECULAR WEIGHT: 669.68382
SMILES: CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C=C(C(=C3C(=O)O)O)C)Br)O
Structure:
CAS RN: 38726-90-8
CAS Name: (Z)-2-diazonio-1-[[2-(methylamino)-2-oxoethyl]amino]ethenolate
OPENEYE Name: (Z)-2-diazonio-1-[[2-(methylamino)-2-oxo-ethyl]amino]ethenolate
IUPAC Name: (Z)-2-diazonio-1-[[2-(methylamino)-2-oxoethyl]amino]ethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethenolate
MOLECULAR FORMULA: C5H8N4O2
MOLECULAR WEIGHT: 156.14262
SMILES: CNC(=O)CN/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 15231-57-9
CAS Name: octyltin
OPENEYE Name: octyltin
IUPAC Name: octyltin
SYSTEMATIC NAME: octyltin
MOLECULAR FORMULA: C8H17Sn
MOLECULAR WEIGHT: 231.93058
SMILES: CCCCCCCC[Sn]
Structure:
CAS RN: 2591-17-5
CAS Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylic acid
OPENEYE Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
IUPAC Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (2E,4S)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C11H8N2O3S2
MOLECULAR WEIGHT: 280.32282
SMILES: C1[C@@H](N/C(=C\2/N=C3C=CC(=O)C=C3S2)/S1)C(=O)O
Structure:
CAS RN: 1058-61-3
CAS Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H48O
MOLECULAR WEIGHT: 412.69082
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C
Structure:
CAS RN: 67392-96-5
CAS Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H48O
MOLECULAR WEIGHT: 412.69082
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C
Structure:
CAS RN: 105618-27-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H45N3O6
MOLECULAR WEIGHT: 675.8125
SMILES: CN1C2=C(C[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)C8=C1[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1
Structure:
CAS RN: 57206-44-7
CAS Name: (2Z)-1-ethyl-2-[(2Z)-2-[(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)methylidene]butylidene]benzo[e][1,3]benzothiazole iodide
OPENEYE Name: (2Z)-1-ethyl-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]butylidene]benzo[e][1,3]benzothiazole iodide
IUPAC Name: (2Z)-1-ethyl-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole iodide
SYSTEMATIC NAME: (2Z)-1-ethyl-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole iodide
MOLECULAR FORMULA: C31H29IN2S2
MOLECULAR WEIGHT: 620.60983
SMILES: CC/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)/C=C\4/N(C5=C(S4)C=CC6=CC=CC=C65)CC.[I-]
Structure:
CAS RN: 57077-34-6
CAS Name: 6-[1-(hydroxyamino)-7-methyloctylidene]-3-methyl-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[1-(hydroxyamino)-7-methyl-octylidene]-3-methyl-cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[1-(hydroxyamino)-7-methyloctylidene]-3-methylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 3-methyl-6-[7-methyl-1-(oxidanylamino)octylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H25NO2
MOLECULAR WEIGHT: 263.3752
SMILES: CC1=CC(=O)C(=C(CCCCCC(C)C)NO)C=C1
Structure:
CAS RN: 56932-45-7
CAS Name: 2-(2-amino-4-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: 2-(2-amino-4-nitro-anilino)-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: 2-(2-amino-4-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-[(2-azanyl-4-nitro-phenyl)amino]-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C10H15N3O5
MOLECULAR WEIGHT: 257.2432
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)NC(CO)(CO)CO
Structure:
CAS RN: 56670-24-7
CAS Name: 6-imino-4-oxo-5-[[4-[oxo-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]methyl]phenyl]hydrazo]-2-naphthalenesulfonic acid
OPENEYE Name: 6-imino-4-oxo-5-[2-[4-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoyl]phenyl]hydrazino]naphthalene-2-sulfonic acid
IUPAC Name: 6-imino-4-oxo-5-[2-[4-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinyl]naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-4-oxidanylidene-5-[2-[4-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinyl]naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C29H22N6O6S
MOLECULAR WEIGHT: 582.58658
SMILES: C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NNC4=C5C(=CC(=CC5=O)S(=O)(=O)O)C=CC4=N
Structure:
CAS RN: 94051-08-8
CAS Name: (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
OPENEYE Name: (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
IUPAC Name: (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SYSTEMATIC NAME: (2R)-2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoic acid
MOLECULAR FORMULA: C17H13ClN2O4
MOLECULAR WEIGHT: 344.74912
SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
Structure:
CAS RN: 59283-76-0
CAS Name: N-(2-methyl-3,5-dinitrophenyl)hydroxylamine
OPENEYE Name: N-(2-methyl-3,5-dinitro-phenyl)hydroxylamine
IUPAC Name: N-(2-methyl-3,5-dinitrophenyl)hydroxylamine
SYSTEMATIC NAME: N-(2-methyl-3,5-dinitro-phenyl)hydroxylamine
MOLECULAR FORMULA: C7H7N3O5
MOLECULAR WEIGHT: 213.14758
SMILES: CC1=C(C=C(C=C1NO)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 41709-76-6
CAS Name: 4-[[4-[4-[2-[3-[anilino(oxo)methyl]-2-oxo-1-naphthalenylidene]hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-3-oxo-N-phenyl-2-naphthalenecarboxamide
OPENEYE Name: 4-[[2-chloro-4-[3-chloro-4-[2-[2-oxo-3-(phenylcarbamoyl)-1-naphthylidene]hydrazino]phenyl]phenyl]hydrazono]-3-oxo-N-phenyl-naphthalene-2-carboxamide
IUPAC Name: 4-[[2-chloro-4-[3-chloro-4-[2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide
SYSTEMATIC NAME: 4-[[2-chloranyl-4-[3-chloranyl-4-[2-[2-oxidanylidene-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxidanylidene-N-phenyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C46H30Cl2N6O4
MOLECULAR WEIGHT: 801.6742
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=NNC4=C(C=C(C=C4)C5=CC(=C(C=C5)NN=C6C7=CC=CC=C7C=C(C6=O)C(=O)NC8=CC=CC=C8)Cl)Cl)C2=O
Structure:
CAS RN: 52622-67-0
CAS Name: 4-[[4-[4-[2-[3-[anilino(oxo)methyl]-2-oxo-1-naphthalenylidene]hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-3-oxo-N-phenyl-2-naphthalenecarboxamide
OPENEYE Name: 4-[[2-chloro-4-[3-chloro-4-[2-[2-oxo-3-(phenylcarbamoyl)-1-naphthylidene]hydrazino]phenyl]phenyl]hydrazono]-3-oxo-N-phenyl-naphthalene-2-carboxamide
IUPAC Name: 4-[[2-chloro-4-[3-chloro-4-[2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide
SYSTEMATIC NAME: 4-[[2-chloranyl-4-[3-chloranyl-4-[2-[2-oxidanylidene-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxidanylidene-N-phenyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C46H30Cl2N6O4
MOLECULAR WEIGHT: 801.6742
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=NNC4=C(C=C(C=C4)C5=CC(=C(C=C5)NN=C6C7=CC=CC=C7C=C(C6=O)C(=O)NC8=CC=CC=C8)Cl)Cl)C2=O
Structure:
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