CAS RN: 3172-04-1
CAS Name: 4-(diethoxyphosphinothioylthio)benzenesulfonamide
OPENEYE Name: 4-diethoxyphosphinothioylsulfanylbenzenesulfonamide
IUPAC Name: 4-diethoxyphosphinothioylsulfanylbenzenesulfonamide
SYSTEMATIC NAME: 4-diethoxyphosphinothioylsulfanylbenzenesulfonamide
MOLECULAR FORMULA: C10H16NO4PS3
MOLECULAR WEIGHT: 341.407101
SMILES: CCOP(=S)(OCC)SC1=CC=C(C=C1)S(=O)(=O)N
Structure:
CAS RN: 3166-30-1
CAS Name: 1-phenyl-2-(2-pyridinylthio)ethanone hydrobromide
OPENEYE Name: 1-phenyl-2-(2-pyridylsulfanyl)ethanone hydrobromide
IUPAC Name: 1-phenyl-2-pyridin-2-ylsulfanylethanone hydrobromide
SYSTEMATIC NAME: 1-phenyl-2-pyridin-2-ylsulfanyl-ethanone hydrobromide
MOLECULAR FORMULA: C13H12BrNOS
MOLECULAR WEIGHT: 310.20948
SMILES: C1=CC=C(C=C1)C(=O)CSC2=CC=CC=N2.Br
Structure:
CAS RN: 3161-20-4
CAS Name: 3-(2,3-dimethyl-1-prop-2-enyl-3-piperidinyl)phenol hydrobromide
OPENEYE Name: 3-(1-allyl-2,3-dimethyl-3-piperidyl)phenol hydrobromide
IUPAC Name: 3-(2,3-dimethyl-1-prop-2-enylpiperidin-3-yl)phenol hydrobromide
SYSTEMATIC NAME: 3-(2,3-dimethyl-1-prop-2-enyl-piperidin-3-yl)phenol hydrobromide
MOLECULAR FORMULA: C16H24BrNO
MOLECULAR WEIGHT: 326.27186
SMILES: CC1C(CCCN1CC=C)(C)C2=CC(=CC=C2)O.Br
Structure:
CAS RN: 3159-98-6
CAS Name: 1,4-bis(2-hydroperoxypropan-2-yl)benzene
OPENEYE Name: 1,4-bis(1-hydroperoxy-1-methyl-ethyl)benzene
IUPAC Name: 1,4-bis(2-hydroperoxypropan-2-yl)benzene
SYSTEMATIC NAME: 1,4-bis[2-(dioxidanyl)propan-2-yl]benzene
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)OO)OO
Structure:
CAS RN: 3157-32-2
CAS Name: 3-(phenylmethyl)-4-imidazolecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 3-benzylimidazole-4-carboxylate hydrochloride
IUPAC Name: methyl 3-benzylimidazole-4-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 3-(phenylmethyl)imidazole-4-carboxylate hydrochloride
MOLECULAR FORMULA: C12H13ClN2O2
MOLECULAR WEIGHT: 252.69682
SMILES: COC(=O)C1=CN=CN1CC2=CC=CC=C2.Cl
Structure:
CAS RN: 3154-91-4
CAS Name: 2-butynedioic acid bis(prop-2-ynyl) ester
OPENEYE Name: bis(prop-2-ynyl) but-2-ynedioate
IUPAC Name: bis(prop-2-ynyl) but-2-ynedioate
SYSTEMATIC NAME: bis(prop-2-ynyl) but-2-ynedioate
MOLECULAR FORMULA: C10H6O4
MOLECULAR WEIGHT: 190.15224
SMILES: C#CCOC(=O)C#CC(=O)OCC#C
Structure:
CAS RN: 3151-30-2
CAS Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
OPENEYE Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
MOLECULAR FORMULA: C34H62O11
MOLECULAR WEIGHT: 646.84948
SMILES: CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Structure:
CAS RN: 3148-42-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O5
MOLECULAR WEIGHT: 412.47882
SMILES: C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC
Structure:
CAS RN: 3147-32-8
CAS Name: 2-(2-bromoethoxy)benzamide
OPENEYE Name: 2-(2-bromoethoxy)benzamide
IUPAC Name: 2-(2-bromoethoxy)benzamide
SYSTEMATIC NAME: 2-(2-bromoethyloxy)benzamide
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC=C(C(=C1)C(=O)N)OCCBr
Structure:
CAS RN: 3146-31-4
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H32ClNO3
MOLECULAR WEIGHT: 369.92598
SMILES: CCN(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 3384-20-1
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H32ClNO3
MOLECULAR WEIGHT: 369.92598
SMILES: CCN(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 631-00-5
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H32ClNO3
MOLECULAR WEIGHT: 369.92598
SMILES: CCN(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 3145-31-1
CAS Name: 2-[3-(3-hydroxyphenyl)-2-methyl-3-propyl-1-piperidinyl]-1-phenylethanone hydrochloride
OPENEYE Name: 2-[3-(3-hydroxyphenyl)-2-methyl-3-propyl-1-piperidyl]-1-phenyl-ethanone hydrochloride
IUPAC Name: 2-[3-(3-hydroxyphenyl)-2-methyl-3-propylpiperidin-1-yl]-1-phenylethanone hydrochloride
SYSTEMATIC NAME: 2-[3-(3-hydroxyphenyl)-2-methyl-3-propyl-piperidin-1-yl]-1-phenyl-ethanone hydrochloride
MOLECULAR FORMULA: C23H30ClNO2
MOLECULAR WEIGHT: 387.9428
SMILES: CCCC1(CCCN(C1C)CC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)O.Cl
Structure:
CAS RN: 3145-29-7
CAS Name: 3-(1,2,3-trimethyl-3-piperidinyl)phenol hydrobromide
OPENEYE Name: 3-(1,2,3-trimethyl-3-piperidyl)phenol hydrobromide
IUPAC Name: 3-(1,2,3-trimethylpiperidin-3-yl)phenol hydrobromide
SYSTEMATIC NAME: 3-(1,2,3-trimethylpiperidin-3-yl)phenol hydrobromide
MOLECULAR FORMULA: C14H22BrNO
MOLECULAR WEIGHT: 300.23458
SMILES: CC1C(CCCN1C)(C)C2=CC(=CC=C2)O.Br
Structure:
CAS RN: 3141-77-3
CAS Name: 1-(diethylamino)-3-phenylmethoxy-2-propanol
OPENEYE Name: 1-benzyloxy-3-(diethylamino)propan-2-ol
IUPAC Name: 1-(diethylamino)-3-phenylmethoxypropan-2-ol
SYSTEMATIC NAME: 1-(diethylamino)-3-phenylmethoxy-propan-2-ol
MOLECULAR FORMULA: C14H23NO2
MOLECULAR WEIGHT: 237.33792
SMILES: CCN(CC)CC(COCC1=CC=CC=C1)O
Structure:
CAS RN: 3139-56-8
CAS Name: N-methyl-1,1-diphenyl-2-propanamine hydrochloride
OPENEYE Name: N-methyl-1,1-diphenyl-propan-2-amine hydrochloride
IUPAC Name: N-methyl-1,1-diphenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-methyl-1,1-diphenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H20ClN
MOLECULAR WEIGHT: 261.7897
SMILES: CC(C(C1=CC=CC=C1)C2=CC=CC=C2)NC.Cl
Structure:
CAS RN: 3130-54-9
CAS Name: 2,4-dinitro-1H-pyrrole
OPENEYE Name: 2,4-dinitro-1H-pyrrole
IUPAC Name: 2,4-dinitro-1H-pyrrole
SYSTEMATIC NAME: 2,4-dinitro-1H-pyrrole
MOLECULAR FORMULA: C4H3N3O4
MOLECULAR WEIGHT: 157.08432
SMILES: C1=C(NC=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3130-52-7
CAS Name: 1-[2-(2,4-dinitro-1-pyrrolyl)ethyl]-2-methyl-5-nitroimidazole
OPENEYE Name: 1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitro-imidazole
IUPAC Name: 1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole
SYSTEMATIC NAME: 1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitro-imidazole
MOLECULAR FORMULA: C10H10N6O6
MOLECULAR WEIGHT: 310.223
SMILES: CC1=NC=C(N1CCN2C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3130-46-9
CAS Name: 2,4-dinitro-1-pentylpyrrole
OPENEYE Name: 2,4-dinitro-1-pentyl-pyrrole
IUPAC Name: 2,4-dinitro-1-pentylpyrrole
SYSTEMATIC NAME: 2,4-dinitro-1-pentyl-pyrrole
MOLECULAR FORMULA: C9H13N3O4
MOLECULAR WEIGHT: 227.21722
SMILES: CCCCCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3127-08-0
CAS Name: [hydroxymethyl(phenyl)phosphino]methanol
OPENEYE Name: [hydroxymethyl(phenyl)phosphanyl]methanol
IUPAC Name: [hydroxymethyl(phenyl)phosphanyl]methanol
SYSTEMATIC NAME: [hydroxymethyl(phenyl)phosphanyl]methanol
MOLECULAR FORMULA: C8H11O2P
MOLECULAR WEIGHT: 170.145501
SMILES: C1=CC=C(C=C1)P(CO)CO
Structure:
CAS RN: 3124-70-7
CAS Name: (8R,9S,10R,13S,14S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-17-(2-chloranylethynyl)-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H25ClO2
MOLECULAR WEIGHT: 332.8643
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CCl)O)CCC4=CC(=O)CC[C@H]34
Structure:
CAS RN: 3124-42-3
CAS Name: carbamic acid 2,2-dimethylpentyl ester
OPENEYE Name: 2,2-dimethylpentyl carbamate
IUPAC Name: 2,2-dimethylpentyl carbamate
SYSTEMATIC NAME: 2,2-dimethylpentyl carbamate
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CCCC(C)(C)COC(=O)N
Structure:
CAS RN: 3124-41-2
CAS Name: carbamic acid [dimethyl(propyl)silyl]methyl ester
OPENEYE Name: [dimethyl(propyl)silyl]methyl carbamate
IUPAC Name: [dimethyl(propyl)silyl]methyl carbamate
SYSTEMATIC NAME: [dimethyl(propyl)silyl]methyl carbamate
MOLECULAR FORMULA: C7H17NO2Si
MOLECULAR WEIGHT: 175.30088
SMILES: CCC[Si](C)(C)COC(=O)N
Structure:
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