CAS RN: 92198-63-5
CAS Name: (2S)-2,3-dihydroxy-2-phenylpropanoic acid
OPENEYE Name: (2S)-2,3-dihydroxy-2-phenyl-propanoic acid
IUPAC Name: (2S)-2,3-dihydroxy-2-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2,3-bis(oxidanyl)-2-phenyl-propanoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C1=CC=C(C=C1)[C@](CO)(C(=O)O)O
Structure:
CAS RN: 85676-05-7
CAS Name: 2-[4-[(2S,5S)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxo-2-piperazinyl]butyl]guanidine
OPENEYE Name: 2-[4-[(2S,5S)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxo-piperazin-2-yl]butyl]guanidine
IUPAC Name: 2-[4-[(2S,5S)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]butyl]guanidine
SYSTEMATIC NAME: 2-[4-[(2S,5S)-5-[(4-ethoxyphenyl)methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]butyl]guanidine
MOLECULAR FORMULA: C18H27N5O3
MOLECULAR WEIGHT: 361.43868
SMILES: CCOC1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CCCCN=C(N)N
Structure:
CAS RN: 85668-54-8
CAS Name: (2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H14N2O10
MOLECULAR WEIGHT: 346.24696
SMILES: C1=CC(=C(C=C1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 85663-20-3
CAS Name: 1-[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
OPENEYE Name: 1-[3-(3,4-dichlorophenyl)indan-1-yl]-4-methyl-piperazine
IUPAC Name: 1-[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methyl-piperazine
MOLECULAR FORMULA: C20H22Cl2N2
MOLECULAR WEIGHT: 361.30808
SMILES: CN1CCN(CC1)C2CC(C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 53380-62-4
CAS Name: 2-(dimethylarsinothio)ethanol
OPENEYE Name: 2-dimethylarsanylsulfanylethanol
IUPAC Name: 2-dimethylarsanylsulfanylethanol
SYSTEMATIC NAME: 2-dimethylarsanylsulfanylethanol
MOLECULAR FORMULA: C4H11AsOS
MOLECULAR WEIGHT: 182.11614
SMILES: C[As](C)SCCO
Structure:
CAS RN: 85653-39-0
CAS Name: 2-(dimethylarsinothio)ethanol
OPENEYE Name: 2-dimethylarsanylsulfanylethanol
IUPAC Name: 2-dimethylarsanylsulfanylethanol
SYSTEMATIC NAME: 2-dimethylarsanylsulfanylethanol
MOLECULAR FORMULA: C4H11AsOS
MOLECULAR WEIGHT: 182.11614
SMILES: C[As](C)SCCO
Structure:
CAS RN: 85653-38-9
CAS Name: (2S)-2-amino-3-(dimethylarsinothio)-3-methylbutanoic acid
OPENEYE Name: (2S)-2-amino-3-dimethylarsanylsulfanyl-3-methyl-butanoic acid
IUPAC Name: (2S)-2-amino-3-dimethylarsanylsulfanyl-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-dimethylarsanylsulfanyl-3-methyl-butanoic acid
MOLECULAR FORMULA: C7H16AsNO2S
MOLECULAR WEIGHT: 253.19404
SMILES: CC(C)([C@H](C(=O)O)N)S[As](C)C
Structure:
CAS RN: 85648-09-5
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]-2-propanol dihydrochloride
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-[5-(2-thienyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol dihydrochloride
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol dihydrochloride
MOLECULAR FORMULA: C26H31Cl2N3O4S
MOLECULAR WEIGHT: 552.51304
SMILES: COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)C3=NC=C(N3)C4=CC=CS4)O)OC.Cl.Cl
Structure:
CAS RN: 85639-52-7
CAS Name: acetic acid [(2R,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester bromide
OPENEYE Name: [(2R,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
IUPAC Name: [(2R,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
SYSTEMATIC NAME: [(2R,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate bromide
MOLECULAR FORMULA: C32H55BrN2O2
MOLECULAR WEIGHT: 579.6953
SMILES: CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H](CC4)N5CCCCC5)C)C)[N+]6(CCCCC6)C.[Br-]
Structure:
CAS RN: 85628-24-6
CAS Name: 1-nitro-2-pyrenol
OPENEYE Name: 1-nitropyren-2-ol
IUPAC Name: 1-nitropyren-2-ol
SYSTEMATIC NAME: 1-nitropyren-2-ol
MOLECULAR FORMULA: C16H9NO3
MOLECULAR WEIGHT: 263.24756
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C=C2
Structure:
CAS RN: 85563-15-1
CAS Name: 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl]phenyl]methyl]amino]acetic acid
OPENEYE Name: 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]phenyl]methyl]amino]acetic acid
IUPAC Name: 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-hydroxy-2-oxoethyl-[[3-methyl-2-oxidanyl-5-[4,5,6,7-tetrakis(bromanyl)-1-(3-methyl-4-oxidanyl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl]methyl]amino]ethanoic acid
MOLECULAR FORMULA: C27H21Br4NO8
MOLECULAR WEIGHT: 807.07354
SMILES: CC1=C(C=CC(=C1)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)O
Structure:
CAS RN: 85563-10-6
CAS Name: 1-(4-iodo-2,5-dimethoxyphenyl)-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-(4-iodo-2,5-dimethoxy-phenyl)-N,N-dimethyl-propan-2-amine
IUPAC Name: 1-(4-iodo-2,5-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: 1-(4-iodanyl-2,5-dimethoxy-phenyl)-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C13H20INO2
MOLECULAR WEIGHT: 349.20787
SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N(C)C
Structure:
CAS RN: 85562-22-7
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-4-(4-iodophenyl)-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-(4-iodophenyl)-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-4-(4-iodophenyl)-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-(4-iodophenyl)-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C23H25FIN3O2
MOLECULAR WEIGHT: 521.366373
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=C(C=C3)I)CCCC(=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 85533-80-8
CAS Name: 6-chloro-3-(phenylmethyl)-2-pyranone
OPENEYE Name: 3-benzyl-6-chloro-pyran-2-one
IUPAC Name: 3-benzyl-6-chloropyran-2-one
SYSTEMATIC NAME: 6-chloranyl-3-(phenylmethyl)pyran-2-one
MOLECULAR FORMULA: C12H9ClO2
MOLECULAR WEIGHT: 220.65166
SMILES: C1=CC=C(C=C1)CC2=CC=C(OC2=O)Cl
Structure:
CAS RN: 85514-41-6
CAS Name: 1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-en-4-yl)ethanone iodide
OPENEYE Name: 1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-en-4-yl)ethanone iodide
IUPAC Name: 1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-en-4-yl)ethanone iodide
SYSTEMATIC NAME: 1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-en-4-yl)ethanone iodide
MOLECULAR FORMULA: C11H18INO
MOLECULAR WEIGHT: 307.17119
SMILES: CC(=O)C1=CCC2CCC1[N+]2(C)C.[I-]
Structure:
CAS RN: 85483-00-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O3
MOLECULAR WEIGHT: 322.48216
SMILES: C[C@]1(CCC[C@]2([C@H]1CC[C@@H]3C24CC[C@@]([C@H](C3)C4)(CO)O)C)CO
Structure:
CAS RN: 19767-48-7
CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone hydrobromide
OPENEYE Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrobromide
IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one hydrobromide
SYSTEMATIC NAME: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrobromide
MOLECULAR FORMULA: C21H28BrNO
MOLECULAR WEIGHT: 390.35712
SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Br
Structure:
CAS RN: 23142-53-2
CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone hydrobromide
OPENEYE Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrobromide
IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one hydrobromide
SYSTEMATIC NAME: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrobromide
MOLECULAR FORMULA: C21H28BrNO
MOLECULAR WEIGHT: 390.35712
SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Br
Structure:
CAS RN: 39901-94-5
CAS Name: 2-pyridinecarbonyl chloride hydrochloride
OPENEYE Name: pyridine-2-carbonyl chloride hydrochloride
IUPAC Name: pyridine-2-carbonyl chloride hydrochloride
SYSTEMATIC NAME: pyridine-2-carbonyl chloride hydrochloride
MOLECULAR FORMULA: C6H5Cl2NO
MOLECULAR WEIGHT: 178.016
SMILES: C1=CC=NC(=C1)C(=O)Cl.Cl
Structure:
CAS RN: 41288-21-5
CAS Name: 1,1-diethyl-3-methylurea
OPENEYE Name: 1,1-diethyl-3-methyl-urea
IUPAC Name: 1,1-diethyl-3-methylurea
SYSTEMATIC NAME: 1,1-diethyl-3-methyl-urea
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: CCN(CC)C(=O)NC
Structure:
CAS RN: 40447-11-8
CAS Name: 1,6-dimethyl-3-phenylpyrimidine-2,4-dione
OPENEYE Name: 1,6-dimethyl-3-phenyl-pyrimidine-2,4-dione
IUPAC Name: 1,6-dimethyl-3-phenylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1,6-dimethyl-3-phenyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CC1=CC(=O)N(C(=O)N1C)C2=CC=CC=C2
Structure:
CAS RN: 38357-67-4
CAS Name: N-propylcarbamic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl N-propylcarbamate
IUPAC Name: naphthalen-1-yl N-propylcarbamate
SYSTEMATIC NAME: naphthalen-1-yl N-propylcarbamate
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CCCNC(=O)OC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 38221-39-5
CAS Name: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2,2,5,7,8-pentamethylchroman-6-yl)oxy-propan-2-ol
IUPAC Name: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C20H33NO3
MOLECULAR WEIGHT: 335.48092
SMILES: CC1=C2C(=C(C(=C1C)OCC(CNC(C)C)O)C)CCC(O2)(C)C
Structure:
CAS RN: 26322-65-6
CAS Name: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2,2,5,7,8-pentamethylchroman-6-yl)oxy-propan-2-ol
IUPAC Name: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C20H33NO3
MOLECULAR WEIGHT: 335.48092
SMILES: CC1=C2C(=C(C(=C1C)OCC(CNC(C)C)O)C)CCC(O2)(C)C
Structure:
CAS RN: 36981-93-8
CAS Name: 5,5-dimethyl-2-phenylmorpholine hydrochloride
OPENEYE Name: 5,5-dimethyl-2-phenyl-morpholine hydrochloride
IUPAC Name: 5,5-dimethyl-2-phenylmorpholine hydrochloride
SYSTEMATIC NAME: 5,5-dimethyl-2-phenyl-morpholine hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CC1(COC(CN1)C2=CC=CC=C2)C.Cl
Structure:
CAS RN: 6036-52-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC[C@@]12CCN([C@H]([C@H]1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4
Structure:
CAS RN: 36292-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC[C@@]12CCN([C@H]([C@H]1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4
Structure:
CAS RN: 37124-17-7
CAS Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
OPENEYE Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-indan-1-one
IUPAC Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
SYSTEMATIC NAME: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1=C(C(=C2C(=C1)C[C@@](C2=O)(C)CO)C)CCO
Structure:
CAS RN: 35650-73-8
CAS Name: 5-phenyl-6-(phenylmethyl)pyrimidine-2,4-diamine
OPENEYE Name: 6-benzyl-5-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 6-benzyl-5-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-phenyl-6-(phenylmethyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C17H16N4
MOLECULAR WEIGHT: 276.33574
SMILES: C1=CC=C(C=C1)CC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3
Structure:
CAS RN: 35723-83-2
CAS Name: 11-methyl-N,N-bis(11-methyldodecyl)-1-dodecanamine
OPENEYE Name: 11-methyl-N,N-bis(11-methyldodecyl)dodecan-1-amine
IUPAC Name: 11-methyl-N,N-bis(11-methyldodecyl)dodecan-1-amine
SYSTEMATIC NAME: 11-methyl-N,N-bis(11-methyldodecyl)dodecan-1-amine
MOLECULAR FORMULA: C39H81N
MOLECULAR WEIGHT: 564.06714
SMILES: CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
Structure:
CAS RN: 35650-72-7
CAS Name: 6-(2-methylpropyl)-5-phenylpyrimidine-2,4-diamine
OPENEYE Name: 6-isobutyl-5-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 6-(2-methylpropyl)-5-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-(2-methylpropyl)-5-phenyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C14H18N4
MOLECULAR WEIGHT: 242.31952
SMILES: CC(C)CC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
Structure:
CAS RN: 35677-89-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H45NO
MOLECULAR WEIGHT: 399.6523
SMILES: C[C@@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCCC5)C)C)OC16CCC(CN6)C
Structure:
CAS RN: 5654-86-4
CAS Name: (2S)-1-amino-3-chloro-2-propanol hydrochloride
OPENEYE Name: (2S)-1-amino-3-chloro-propan-2-ol hydrochloride
IUPAC Name: (2S)-1-amino-3-chloropropan-2-ol hydrochloride
SYSTEMATIC NAME: (2S)-1-azanyl-3-chloranyl-propan-2-ol hydrochloride
MOLECULAR FORMULA: C3H9Cl2NO
MOLECULAR WEIGHT: 146.01566
SMILES: C([C@@H](CCl)O)N.Cl
Structure:
CAS RN: 34839-13-9
CAS Name: (2S)-1-amino-3-chloro-2-propanol hydrochloride
OPENEYE Name: (2S)-1-amino-3-chloro-propan-2-ol hydrochloride
IUPAC Name: (2S)-1-amino-3-chloropropan-2-ol hydrochloride
SYSTEMATIC NAME: (2S)-1-azanyl-3-chloranyl-propan-2-ol hydrochloride
MOLECULAR FORMULA: C3H9Cl2NO
MOLECULAR WEIGHT: 146.01566
SMILES: C([C@@H](CCl)O)N.Cl
Structure:
CAS RN: 32891-29-5
CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) ester hydrochloride
OPENEYE Name: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate hydrochloride
IUPAC Name: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate hydrochloride
SYSTEMATIC NAME: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate hydrochloride
MOLECULAR FORMULA: C21H28ClNO3S2
MOLECULAR WEIGHT: 442.03492
SMILES: CC1(CCC2CC(CC1N2C)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.Cl
Structure:
CAS RN: 38081-91-3
CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) ester hydrochloride
OPENEYE Name: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate hydrochloride
IUPAC Name: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate hydrochloride
SYSTEMATIC NAME: (6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate hydrochloride
MOLECULAR FORMULA: C21H28ClNO3S2
MOLECULAR WEIGHT: 442.03492
SMILES: CC1(CCC2CC(CC1N2C)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.Cl
Structure:
CAS RN: 85438-98-8
CAS Name: 2-undecylthiolane
OPENEYE Name: 2-undecyltetrahydrothiophene
IUPAC Name: 2-undecylthiolane
SYSTEMATIC NAME: 2-undecylthiolane
MOLECULAR FORMULA: C15H30S
MOLECULAR WEIGHT: 242.4637
SMILES: CCCCCCCCCCCC1CCCS1
Structure:
CAS RN: 91776-95-3
CAS Name: (6R,7R)-7-[(5-carboxy-5-hydroxy-1-oxopentyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[(5-carboxy-5-hydroxy-pentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[5,6-bis(oxidanyl)-6-oxidanylidene-hexanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H18N2O8S
MOLECULAR WEIGHT: 374.36632
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(C(=O)O)O)C(=O)O)CO
Structure:
CAS RN: 91762-99-1
CAS Name: (2S,3S,5R,6R)-3-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethylthio]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6R)-3-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6R)-3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6R)-3-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H35N3O8S
MOLECULAR WEIGHT: 489.5829
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)NCCS[C@H]1C[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)C(C)(C)O)O
Structure:
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