CAS RN: 51575-80-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H41NO
MOLECULAR WEIGHT: 395.62054
SMILES: CC1CCC2(C(C3C(O2)CC4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC=C6)C)C)C)NC1
Structure:
CAS RN: 18470-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC1(CCCC2(C3C1C(C2(CC3O)C)O)C)C
Structure:
CAS RN: 18374-83-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC1(CCCC2(C3C1C(C2(CC3O)C)O)C)C
Structure:
CAS RN: 119673-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H34Cl2N4O7
MOLECULAR WEIGHT: 669.55166
SMILES: CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5C7C(C(C(C(O7)CO)OC)O)O)C(=CC=C6)Cl
Structure:
CAS RN: 121505-49-5
CAS Name: 8-bromo-2-phenylcyclohepta[b]pyrrole
OPENEYE Name: 8-bromo-2-phenyl-cyclohepta[b]pyrrole
IUPAC Name: 8-bromo-2-phenylcyclohepta[b]pyrrole
SYSTEMATIC NAME: 8-bromanyl-2-phenyl-cyclohepta[b]pyrrole
MOLECULAR FORMULA: C15H10BrN
MOLECULAR WEIGHT: 284.1506
SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C(C3=N2)Br
Structure:
CAS RN: 134742-26-0
CAS Name: 2-amino-N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroanilino]-oxomethyl]benzamide
OPENEYE Name: 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]benzamide
IUPAC Name: 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]carbamoyl]benzamide
MOLECULAR FORMULA: C18H13BrClN5O3
MOLECULAR WEIGHT: 462.68452
SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)N
Structure:
CAS RN: 115369-70-5
CAS Name: 2-[[2-[oxo-(3-pyridinylamino)methyl]phenyl]diselanyl]-N-(3-pyridinyl)benzamide
OPENEYE Name: N-(3-pyridyl)-2-[[2-(3-pyridylcarbamoyl)phenyl]diselanyl]benzamide
IUPAC Name: N-pyridin-3-yl-2-[[2-(pyridin-3-ylcarbamoyl)phenyl]diselanyl]benzamide
SYSTEMATIC NAME: N-pyridin-3-yl-2-[[2-(pyridin-3-ylcarbamoyl)phenyl]diselanyl]benzamide
MOLECULAR FORMULA: C24H18N4O2Se2
MOLECULAR WEIGHT: 552.34532
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)[Se][Se]C3=CC=CC=C3C(=O)NC4=CN=CC=C4
Structure:
CAS RN: 115369-67-0
CAS Name: 2-[[2-[oxo-(2-pyridinylamino)methyl]phenyl]diselanyl]-N-(2-pyridinyl)benzamide
OPENEYE Name: N-(2-pyridyl)-2-[[2-(2-pyridylcarbamoyl)phenyl]diselanyl]benzamide
IUPAC Name: N-pyridin-2-yl-2-[[2-(pyridin-2-ylcarbamoyl)phenyl]diselanyl]benzamide
SYSTEMATIC NAME: N-pyridin-2-yl-2-[[2-(pyridin-2-ylcarbamoyl)phenyl]diselanyl]benzamide
MOLECULAR FORMULA: C24H18N4O2Se2
MOLECULAR WEIGHT: 552.34532
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=CC=N4
Structure:
CAS RN: 148787-82-0
CAS Name: 4-[[[2-[[2-[(4-carboxyanilino)-oxomethyl]phenyl]diselanyl]phenyl]-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-[[2-[[2-[(4-carboxyphenyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]benzoic acid
IUPAC Name: 4-[[2-[[2-[(4-carboxyphenyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[2-[[2-[(4-carboxyphenyl)carbamoyl]phenyl]diselanyl]phenyl]carbonylamino]benzoic acid
MOLECULAR FORMULA: C28H20N2O6Se2
MOLECULAR WEIGHT: 638.3882
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=O)O
Structure:
CAS RN: 106663-72-3
CAS Name: 2-[[2-[(4-chloroanilino)-oxomethyl]phenyl]diselanyl]-N-(4-chlorophenyl)benzamide
OPENEYE Name: N-(4-chlorophenyl)-2-[[2-[(4-chlorophenyl)carbamoyl]phenyl]diselanyl]benzamide
IUPAC Name: N-(4-chlorophenyl)-2-[[2-[(4-chlorophenyl)carbamoyl]phenyl]diselanyl]benzamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[2-[(4-chlorophenyl)carbamoyl]phenyl]diselanyl]benzamide
MOLECULAR FORMULA: C26H18Cl2N2O2Se2
MOLECULAR WEIGHT: 619.25932
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 22550-76-1
CAS Name: (3R,4S,5bR,9S,11aR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
OPENEYE Name: (3R,4S,5bR,9S,11aR)-3-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
IUPAC Name: (3R,4S,5bR,9S,11aR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
SYSTEMATIC NAME: (3R,4S,5bR,9S,11aR)-5a,5b,8,8,11a,13b-hexamethyl-3-(2-oxidanylpropan-2-yl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
MOLECULAR FORMULA: C30H52O4
MOLECULAR WEIGHT: 476.73148
SMILES: C[C@]12CC[C@@H](C(C1C(C[C@@]3(C2CCC4C3(C[C@@H](C5C4(CC[C@H]5C(C)(C)O)C)O)C)C)O)(C)C)O
Structure:
CAS RN: 125620-72-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H46O13
MOLECULAR WEIGHT: 698.75334
SMILES: CC1=C2[C@H](C([C@@]3([C@H](CC4C(C3C([C@@H](C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 125037-14-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H46O13
MOLECULAR WEIGHT: 698.75334
SMILES: CC1=C2[C@H](C([C@@]3([C@H](CC4C(C3C([C@@H](C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 81187-95-3
CAS Name: 2-(2,4-dinitroanilino)-3-sulfopropanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-sulfo-propanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-sulfopropanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-sulfo-propanoic acid
MOLECULAR FORMULA: C9H9N3O9S
MOLECULAR WEIGHT: 335.24746
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CS(=O)(=O)O)C(=O)O
Structure:
CAS RN: 23928-04-3
CAS Name: 2-(2,4-dinitroanilino)ethanesulfonic acid
OPENEYE Name: 2-(2,4-dinitroanilino)ethanesulfonic acid
IUPAC Name: 2-(2,4-dinitroanilino)ethanesulfonic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]ethanesulfonic acid
MOLECULAR FORMULA: C8H9N3O7S
MOLECULAR WEIGHT: 291.23796
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCS(=O)(=O)O
Structure:
CAS RN: 129905-10-8
CAS Name: 2-[(3S)-5-ethyl-6-[(2S,3S)-6-[(2S,3S)-5-[(5R)-5-ethyl-2-hydroxy-5-(1-hydroxybutyl)-3-methyl-2-oxolanyl]-3,5-dimethyl-2-oxolanyl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyl-2-oxanyl]butanoic acid
OPENEYE Name: 2-[(3S)-5-ethyl-6-[(1S,2S)-5-[(2S,3S)-5-[(5R)-5-ethyl-2-hydroxy-5-(1-hydroxybutyl)-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-2,4-dihydroxy-3-methyl-tetrahydropyran-2-yl]butanoic acid
IUPAC Name: 2-[(3S)-5-ethyl-6-[(2S,3S)-6-[(2S,3S)-5-[(5R)-5-ethyl-2-hydroxy-5-(1-hydroxybutyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
SYSTEMATIC NAME: 2-[(3S)-5-ethyl-6-[(2S,3S)-6-[(2S,3S)-5-[(5R)-5-ethyl-3-methyl-2-oxidanyl-5-(1-oxidanylbutyl)oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-3-methyl-2,4-bis(oxidanyl)oxan-2-yl]butanoic acid
MOLECULAR FORMULA: C38H68O11
MOLECULAR WEIGHT: 700.93992
SMILES: CCCC([C@]1(CC(C(O1)(C2(C[C@@H]([C@H](O2)C(CC)C(=O)C(C)[C@H]([C@H](C)C3C(C([C@@H](C(O3)(C(CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O
Structure:
CAS RN: 75140-06-6
CAS Name: 4-(4-ethoxyanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(4-ethoxyanilino)naphthalene-1,2-dione
IUPAC Name: 4-(4-ethoxyanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[(4-ethoxyphenyl)amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CCOC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
Structure:
CAS RN: 883834-43-3
CAS Name: 4-(2-benzoylanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(2-benzoylanilino)naphthalene-1,2-dione
IUPAC Name: 4-(2-benzoylanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[[2-(phenylcarbonyl)phenyl]amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C23H15NO3
MOLECULAR WEIGHT: 353.3701
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43
Structure:
CAS RN: 3676-72-0
CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]benzamide
OPENEYE Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]benzamide
IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]benzamide
SYSTEMATIC NAME: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]benzamide
MOLECULAR FORMULA: C17H17N5O6
MOLECULAR WEIGHT: 387.34678
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 175669-17-7
CAS Name: 5-[[2-amino-5-(4-methoxyphenyl)-3-methyl-4-imidazolyl]disulfanyl]-4-(4-methoxyphenyl)-1-methyl-2-imidazolamine hydrochloride
OPENEYE Name: 5-[[2-amino-5-(4-methoxyphenyl)-3-methyl-imidazol-4-yl]disulfanyl]-4-(4-methoxyphenyl)-1-methyl-imidazol-2-amine hydrochloride
IUPAC Name: 5-[[2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-yl]disulfanyl]-4-(4-methoxyphenyl)-1-methylimidazol-2-amine hydrochloride
SYSTEMATIC NAME: 5-[[2-azanyl-5-(4-methoxyphenyl)-3-methyl-imidazol-4-yl]disulfanyl]-4-(4-methoxyphenyl)-1-methyl-imidazol-2-amine hydrochloride
MOLECULAR FORMULA: C22H25ClN6O2S2
MOLECULAR WEIGHT: 505.0559
SMILES: CN1C(=C(N=C1N)C2=CC=C(C=C2)OC)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 5351-13-3
CAS Name: 1-(3-hydroxy-1H-inden-2-yl)ethanone
OPENEYE Name: 1-(3-hydroxy-1H-inden-2-yl)ethanone
IUPAC Name: 1-(3-hydroxy-1H-inden-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-oxidanyl-1H-inden-2-yl)ethanone
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: CC(=O)C1=C(C2=CC=CC=C2C1)O
Structure:
CAS RN: 128790-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC(=O)N1[C@@H]2[C@@](CC3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C
Structure:
CAS RN: 49833-53-6
CAS Name: [1-[2-[diphenyl-(phenylmethyl)phosphiniumyl]-1-naphthalenyl]-2-naphthalenyl]-diphenyl-(phenylmethyl)phosphonium
OPENEYE Name: benzyl-[1-[2-[benzyl(diphenyl)phosphaniumyl]-1-naphthyl]-2-naphthyl]-diphenyl-phosphonium
IUPAC Name: benzyl-[1-[2-[benzyl(diphenyl)phosphaniumyl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphanium
SYSTEMATIC NAME: [1-[2-[diphenyl-(phenylmethyl)phosphaniumyl]naphthalen-1-yl]naphthalen-2-yl]-diphenyl-(phenylmethyl)phosphanium
MOLECULAR FORMULA: C58H46P2+2
MOLECULAR WEIGHT: 804.933362
SMILES: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C5=CC=CC=C5C=C4)C6=C(C=CC7=CC=CC=C76)[P+](CC8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
Structure:
CAS RN: 54078-29-4
CAS Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzonitrile
OPENEYE Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzonitrile
IUPAC Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzonitrile
SYSTEMATIC NAME: 4-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: CC1(OC(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)O1)C
Structure:
CAS RN: 1257-08-5
CAS Name: 3,4,5-trihydroxybenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester
OPENEYE Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C22H18O10
MOLECULAR WEIGHT: 442.37232
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 130405-40-2
CAS Name: 3,4,5-trihydroxybenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester
OPENEYE Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C22H18O10
MOLECULAR WEIGHT: 442.37232
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 190-39-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H32O27
MOLECULAR WEIGHT: 956.67658
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Structure:
CAS RN: 18942-26-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H32O27
MOLECULAR WEIGHT: 956.67658
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Structure:
CAS RN: 64047-22-9
CAS Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone
OPENEYE Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone
IUPAC Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CC(=O)C1=CC=C(C=C1)OCC(CO)O
Structure:
CAS RN: 14389-06-1
CAS Name: 5-chloro-7-methyl-1H-indole-2,3-dione
OPENEYE Name: 5-chloro-7-methyl-indoline-2,3-dione
IUPAC Name: 5-chloro-7-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 5-chloranyl-7-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C9H6ClNO2
MOLECULAR WEIGHT: 195.60244
SMILES: CC1=C2C(=CC(=C1)Cl)C(=O)C(=O)N2
Structure:
CAS RN: 110046-24-7
CAS Name: 4-[[(4-aminophenyl)thio]methyl]benzoic acid
OPENEYE Name: 4-[(4-aminophenyl)sulfanylmethyl]benzoic acid
IUPAC Name: 4-[(4-aminophenyl)sulfanylmethyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-aminophenyl)sulfanylmethyl]benzoic acid
MOLECULAR FORMULA: C14H13NO2S
MOLECULAR WEIGHT: 259.32352
SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)N)C(=O)O
Structure:
CAS RN: 110046-26-9
CAS Name: 4-[[(4-nitrophenyl)thio]methyl]benzoic acid
OPENEYE Name: 4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
IUPAC Name: 4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
MOLECULAR FORMULA: C14H11NO4S
MOLECULAR WEIGHT: 289.30644
SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 88382-51-8
CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid
OPENEYE Name: 4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid
IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid
MOLECULAR FORMULA: C14H11ClO2S
MOLECULAR WEIGHT: 278.75394
SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 110046-23-6
CAS Name: 4-[[(4-methoxyphenyl)thio]methyl]benzoic acid
OPENEYE Name: 4-[(4-methoxyphenyl)sulfanylmethyl]benzoic acid
IUPAC Name: 4-[(4-methoxyphenyl)sulfanylmethyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)sulfanylmethyl]benzoic acid
MOLECULAR FORMULA: C15H14O3S
MOLECULAR WEIGHT: 274.33486
SMILES: COC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)O
Structure:
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