CAS RN: 5947-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H14O7
MOLECULAR WEIGHT: 294.25676
SMILES: CC(=O)C1[C@H]2[C@@H]3[C@@]4([C@]([C@@H]1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
Structure:
CAS RN: 5934-19-0
CAS Name: 2-amino-1,2-bis(4-methoxyphenyl)ethanol hydrochloride
OPENEYE Name: 2-amino-1,2-bis(4-methoxyphenyl)ethanol hydrochloride
IUPAC Name: 2-amino-1,2-bis(4-methoxyphenyl)ethanol hydrochloride
SYSTEMATIC NAME: 2-azanyl-1,2-bis(4-methoxyphenyl)ethanol hydrochloride
MOLECULAR FORMULA: C16H20ClNO3
MOLECULAR WEIGHT: 309.7879
SMILES: COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)O)N.Cl
Structure:
CAS RN: 51120-35-5
CAS Name: phosphoric acid dimethoxyphosphinothioyl dimethyl ester
OPENEYE Name: dimethoxyphosphinothioyl dimethyl phosphate
IUPAC Name: dimethoxyphosphinothioyl dimethyl phosphate
SYSTEMATIC NAME: dimethoxyphosphinothioyl dimethyl phosphate
MOLECULAR FORMULA: C4H12O6P2S
MOLECULAR WEIGHT: 250.147002
SMILES: COP(=O)(OC)OP(=S)(OC)OC
Structure:
CAS RN: 5930-73-4
CAS Name: phosphoric acid dimethoxyphosphinothioyl dimethyl ester
OPENEYE Name: dimethoxyphosphinothioyl dimethyl phosphate
IUPAC Name: dimethoxyphosphinothioyl dimethyl phosphate
SYSTEMATIC NAME: dimethoxyphosphinothioyl dimethyl phosphate
MOLECULAR FORMULA: C4H12O6P2S
MOLECULAR WEIGHT: 250.147002
SMILES: COP(=O)(OC)OP(=S)(OC)OC
Structure:
CAS RN: 5928-22-3
CAS Name: 2-[3-(2-carboxyphenyl)-2-oxopropyl]benzoic acid
OPENEYE Name: 2-[3-(2-carboxyphenyl)-2-oxo-propyl]benzoic acid
IUPAC Name: 2-[3-(2-carboxyphenyl)-2-oxopropyl]benzoic acid
SYSTEMATIC NAME: 2-[3-(2-carboxyphenyl)-2-oxidanylidene-propyl]benzoic acid
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: C1=CC=C(C(=C1)CC(=O)CC2=CC=CC=C2C(=O)O)C(=O)O
Structure:
CAS RN: 5918-33-2
CAS Name: cyclohexylsulfamic acid; N-methyl-N-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]-2-propanamine
OPENEYE Name: N-benzyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine; cyclohexylsulfamic acid
IUPAC Name: N-benzyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine; cyclohexylsulfamic acid
SYSTEMATIC NAME: cyclohexylsulfamic acid; N-methyl-N-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
MOLECULAR FORMULA: C24H33F3N2O3S
MOLECULAR WEIGHT: 486.59063
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)N(C)CC2=CC=CC=C2.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 5917-30-6
CAS Name: 2-[[4,4,6,6-tetrakis(1-aziridinyl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxo-ethyl)amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetate
IUPAC Name: ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]ethanoate
MOLECULAR FORMULA: C16H32N9O4P3
MOLECULAR WEIGHT: 507.404463
SMILES: CCOC(=O)CNP1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)NCC(=O)OCC
Structure:
CAS RN: 5908-90-7
CAS Name: 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester dibromide
OPENEYE Name: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenyltetralin-1,4-dicarboxylate dibromide
IUPAC Name: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide
SYSTEMATIC NAME: bis(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dibromide
MOLECULAR FORMULA: C38H52Br2N2O4
MOLECULAR WEIGHT: 760.63848
SMILES: CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)[N+]7(C)CC)C.[Br-].[Br-]
Structure:
CAS RN: 5908-89-4
CAS Name: 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid O1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester O4-phenyl ester; sulfuric acid; hydrate
OPENEYE Name: O4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) O1-phenyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)tetralin-1,4-dicarboxylate; sulfuric acid; hydrate
IUPAC Name: 1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate; sulfuric acid; hydrate
SYSTEMATIC NAME: O1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) O4-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate; sulfuric acid; hydrate
MOLECULAR FORMULA: C34H46N2O9S
MOLECULAR WEIGHT: 658.80204
SMILES: CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7.O.OS(=O)(=O)O
Structure:
CAS RN: 5904-24-5
CAS Name: N-(2-hydroxyethyl)carbamic acid [5-(1-aziridinyl)-1-ethyl-2,6-dimethyl-4,7-dioxo-3-indolyl]methyl ester
OPENEYE Name: [5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxo-indol-3-yl]methyl N-(2-hydroxyethyl)carbamate
IUPAC Name: [5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxoindol-3-yl]methyl N-(2-hydroxyethyl)carbamate
SYSTEMATIC NAME: [5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-bis(oxidanylidene)indol-3-yl]methyl N-(2-hydroxyethyl)carbamate
MOLECULAR FORMULA: C18H23N3O5
MOLECULAR WEIGHT: 361.39232
SMILES: CCN1C(=C(C2=C1C(=O)C(=C(C2=O)N3CC3)C)COC(=O)NCCO)C
Structure:
CAS RN: 5902-97-6
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylarsonic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylarsonic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylarsonic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; methylarsonic acid
MOLECULAR FORMULA: C7H20AsNO6
MOLECULAR WEIGHT: 289.1584
SMILES: C[As](=O)(O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 5902-78-3
CAS Name: methoxy-methyl-(4-methylsulfonylphenoxy)-sulfanylidenephosphorane
OPENEYE Name: methoxy-methyl-(4-methylsulfonylphenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: methoxy-methyl-(4-methylsulfonylphenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: methoxy-methyl-(4-methylsulfonylphenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H13O4PS2
MOLECULAR WEIGHT: 280.300881
SMILES: COP(=S)(C)OC1=CC=C(C=C1)S(=O)(=O)C
Structure:
CAS RN: 5896-96-8
CAS Name: 2-[5-[4-amino-2-(methoxymethyl)phenoxy]pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-[4-amino-2-(methoxymethyl)phenoxy]pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-[4-amino-2-(methoxymethyl)phenoxy]pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-[4-azanyl-2-(methoxymethyl)phenoxy]pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: COCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5896-92-4
CAS Name: 2-[5-[4-amino-2-(hydroxymethyl)phenoxy]pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-[4-amino-2-(hydroxymethyl)phenoxy]pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-[4-amino-2-(hydroxymethyl)phenoxy]pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-[4-azanyl-2-(hydroxymethyl)phenoxy]pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)CO
Structure:
CAS RN: 5896-90-2
CAS Name: 2-[5-(4-amino-2-methylphenoxy)pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-(4-amino-2-methyl-phenoxy)pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-(4-amino-2-methylphenoxy)pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-(4-azanyl-2-methyl-phenoxy)pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5896-89-9
CAS Name: methanesulfonic acid; 3-methyl-4-octoxyaniline
OPENEYE Name: methanesulfonic acid; 3-methyl-4-octoxy-aniline
IUPAC Name: methanesulfonic acid; 3-methyl-4-octoxyaniline
SYSTEMATIC NAME: methanesulfonic acid; 3-methyl-4-octoxy-aniline
MOLECULAR FORMULA: C16H29NO4S
MOLECULAR WEIGHT: 331.47076
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)C.CS(=O)(=O)O
Structure:
CAS RN: 5894-03-1
CAS Name: benzenesulfonic acid; 5-phenylthiazole-2,4-diamine
OPENEYE Name: benzenesulfonic acid; 5-phenylthiazole-2,4-diamine
IUPAC Name: benzenesulfonic acid; 5-phenyl-1,3-thiazole-2,4-diamine
SYSTEMATIC NAME: benzenesulfonic acid; 5-phenyl-1,3-thiazole-2,4-diamine
MOLECULAR FORMULA: C15H15N3O3S2
MOLECULAR WEIGHT: 349.4279
SMILES: C1=CC=C(C=C1)C2=C(N=C(S2)N)N.C1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 5891-07-6
CAS Name: 2-(propylamino)ethanethiol
OPENEYE Name: 2-(propylamino)ethanethiol
IUPAC Name: 2-(propylamino)ethanethiol
SYSTEMATIC NAME: 2-(propylamino)ethanethiol
MOLECULAR FORMULA: C5H13NS
MOLECULAR WEIGHT: 119.22842
SMILES: CCCNCCS
Structure:
CAS RN: 5891-04-3
CAS Name: 2-(hexylamino)ethanethiol
OPENEYE Name: 2-(hexylamino)ethanethiol
IUPAC Name: 2-(hexylamino)ethanethiol
SYSTEMATIC NAME: 2-(hexylamino)ethanethiol
MOLECULAR FORMULA: C8H19NS
MOLECULAR WEIGHT: 161.30816
SMILES: CCCCCCNCCS
Structure:
CAS RN: 5890-93-7
CAS Name: 4-[2-(4-hydroxyphenyl)-1H-indol-3-yl]phenol
OPENEYE Name: 4-[2-(4-hydroxyphenyl)-1H-indol-3-yl]phenol
IUPAC Name: 4-[2-(4-hydroxyphenyl)-1H-indol-3-yl]phenol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)-1H-indol-3-yl]phenol
MOLECULAR FORMULA: C20H15NO2
MOLECULAR WEIGHT: 301.3386
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
CAS RN: 5882-42-8
CAS Name: 4-(4-morpholinyl)-2-(1-naphthalenyl)butanoic acid hydrochloride
OPENEYE Name: 4-morpholino-2-(1-naphthyl)butanoic acid hydrochloride
IUPAC Name: 4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid hydrochloride
SYSTEMATIC NAME: 4-morpholin-4-yl-2-naphthalen-1-yl-butanoic acid hydrochloride
MOLECULAR FORMULA: C18H22ClNO3
MOLECULAR WEIGHT: 335.82518
SMILES: C1COCCN1CCC(C2=CC=CC3=CC=CC=C32)C(=O)O.Cl
Structure:
CAS RN: 5875-28-5
CAS Name: thiocyanic acid (2-amino-2-oxoethyl) ester
OPENEYE Name: (2-amino-2-oxo-ethyl) thiocyanate
IUPAC Name: (2-amino-2-oxoethyl) thiocyanate
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-ethyl) thiocyanate
MOLECULAR FORMULA: C3H4N2OS
MOLECULAR WEIGHT: 116.14166
SMILES: C(C(=O)N)SC#N
Structure:
CAS RN: 5872-71-9
CAS Name: 2-(3-methyl-1-pyrrolidinyl)butanedioic acid
OPENEYE Name: 2-(3-methylpyrrolidin-1-yl)butanedioic acid
IUPAC Name: 2-(3-methylpyrrolidin-1-yl)butanedioic acid
SYSTEMATIC NAME: 2-(3-methylpyrrolidin-1-yl)butanedioic acid
MOLECULAR FORMULA: C9H15NO4
MOLECULAR WEIGHT: 201.2197
SMILES: CC1CCN(C1)C(CC(=O)O)C(=O)O
Structure:
CAS RN: 5872-56-0
CAS Name: 2-(1-pyrrolidinyl)butanedioic acid
OPENEYE Name: 2-pyrrolidin-1-ylbutanedioic acid
IUPAC Name: 2-pyrrolidin-1-ylbutanedioic acid
SYSTEMATIC NAME: 2-pyrrolidin-1-ylbutanedioic acid
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: C1CCN(C1)C(CC(=O)O)C(=O)O
Structure:
CAS RN: 5863-31-0
CAS Name: N-[(4-chlorophenyl)methyl]-N-methyl-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-chlorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-chlorophenyl)methyl]-N-methyl-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H21Cl2N
MOLECULAR WEIGHT: 310.26134
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 5853-71-4
CAS Name: 2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
OPENEYE Name: 2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
IUPAC Name: 2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
SYSTEMATIC NAME: 2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
MOLECULAR FORMULA: C8H8ClO3P
MOLECULAR WEIGHT: 218.574081
SMILES: C1C2C1C3=C(C=C2)OP(=O)(O3)CCl
Structure:
CAS RN: 5853-68-9
CAS Name: 2-ethyl-4H-1,3,2$l^{5}-benzodioxaphosphorin 2-oxide
OPENEYE Name: 2-ethyl-4H-1,3,2$l^{5}-benzodioxaphosphinine 2-oxide
IUPAC Name: 2-ethyl-4H-1,3,2$l^{5}-benzodioxaphosphinine 2-oxide
SYSTEMATIC NAME: 2-ethyl-4H-1,3,2$l^{5}-benzodioxaphosphinine 2-oxide
MOLECULAR FORMULA: C9H11O3P
MOLECULAR WEIGHT: 198.155601
SMILES: CCP1(=O)OCC2=CC=CC=C2O1
Structure:
CAS RN: 5853-16-7
CAS Name: cerium(3+) tricarbonate pentadecahydrate
OPENEYE Name: cerium(3+) tricarbonate pentadecahydrate
IUPAC Name: cerium(3+) tricarbonate pentadecahydrate
SYSTEMATIC NAME: cerium(3+) tricarbonate pentadecahydrate
MOLECULAR FORMULA: C3H30Ce2O24
MOLECULAR WEIGHT: 730.4879
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Ce+3].[Ce+3]
Structure:
CAS RN: 5843-57-2
CAS Name: N-methyl-N-(2-oxolanylmethyl)-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-methyl-1-phenyl-N-(tetrahydrofuran-2-ylmethyl)propan-2-amine hydrochloride
IUPAC Name: N-methyl-N-(oxolan-2-ylmethyl)-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C15H24ClNO
MOLECULAR WEIGHT: 269.81016
SMILES: CC(CC1=CC=CC=C1)N(C)CC2CCCO2.Cl
Structure:
CAS RN: 5843-55-0
CAS Name: N-(2-oxolanylmethyl)-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: 1-phenyl-N-(tetrahydrofuran-2-ylmethyl)propan-2-amine hydrochloride
IUPAC Name: N-(oxolan-2-ylmethyl)-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-(oxolan-2-ylmethyl)-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C14H22ClNO
MOLECULAR WEIGHT: 255.78358
SMILES: CC(CC1=CC=CC=C1)NCC2CCCO2.Cl
Structure:
CAS RN: 5843-54-9
CAS Name: 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2-propanamine hydrochloride
OPENEYE Name: 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
IUPAC Name: 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H19ClF3N
MOLECULAR WEIGHT: 329.78767
SMILES: CC(CC1=CC=CC=C1)NCC2=CC(=CC=C2)C(F)(F)F.Cl
Structure:
CAS RN: 5842-04-6
CAS Name: 2-(prop-2-enylamino)ethanethiol
OPENEYE Name: 2-(allylamino)ethanethiol
IUPAC Name: 2-(prop-2-enylamino)ethanethiol
SYSTEMATIC NAME: 2-(prop-2-enylamino)ethanethiol
MOLECULAR FORMULA: C5H11NS
MOLECULAR WEIGHT: 117.21254
SMILES: C=CCNCCS
Structure:
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