CAS RN: 93964-64-8
CAS Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C31H22N5Na3O12S2
MOLECULAR WEIGHT: 789.63199
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N/N=C\5/C=CC(=O)C(=C5)C(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 93918-66-2
CAS Name: acetic acid; N-[2-[2-[2-(1-oxohexadecylamino)ethylamino]ethylamino]ethyl]hexadecanamide
OPENEYE Name: acetic acid; N-[2-[2-[2-(hexadecanoylamino)ethylamino]ethylamino]ethyl]hexadecanamide
IUPAC Name: acetic acid; N-[2-[2-[2-(hexadecanoylamino)ethylamino]ethylamino]ethyl]hexadecanamide
SYSTEMATIC NAME: ethanoic acid; N-[2-[2-[2-(hexadecanoylamino)ethylamino]ethylamino]ethyl]hexadecanamide
MOLECULAR FORMULA: C40H82N4O4
MOLECULAR WEIGHT: 683.10348
SMILES: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O
CAS RN: 97659-30-8
CAS Name: 2-methyl-2-dodecanamine; octanoic acid
OPENEYE Name: 2-methyldodecan-2-amine; octanoic acid
IUPAC Name: 2-methyldodecan-2-amine; octanoic acid
SYSTEMATIC NAME: 2-methyldodecan-2-amine; octanoic acid
MOLECULAR FORMULA: C21H45NO2
MOLECULAR WEIGHT: 343.5875
SMILES: CCCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O
CAS RN: 74754-17-9
CAS Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone chloride
OPENEYE Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone chloride
IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone chloride
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone chloride
MOLECULAR FORMULA: C21H21ClN2O5
MOLECULAR WEIGHT: 416.85484
SMILES: C1C[N+](=CCN1CC2COC3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)OCO5.[Cl-]
CAS RN: 93882-52-1
CAS Name: butanedioic acid O1-[2-[2-[2-[2-[4-[(E)-octadec-1-enoxy]-1,4-dioxobutoxy]ethoxy]ethoxy]ethoxy]ethyl] ester O4-[(E)-octadec-1-enyl] ester
OPENEYE Name: O1-[2-[2-[2-[2-[4-[(E)-octadec-1-enoxy]-4-oxo-butanoyl]oxyethoxy]ethoxy]ethoxy]ethyl] O4-[(E)-octadec-1-enyl] butanedioate
IUPAC Name: 1-O-[2-[2-[2-[2-[4-[(E)-octadec-1-enoxy]-4-oxobutanoyl]oxyethoxy]ethoxy]ethoxy]ethyl] 4-O-[(E)-octadec-1-enyl] butanedioate
SYSTEMATIC NAME: O1-[2-[2-[2-[2-[4-[(E)-octadec-1-enoxy]-4-oxidanylidene-butanoyl]oxyethoxy]ethoxy]ethoxy]ethyl] O4-[(E)-octadec-1-enyl] butanedioate
MOLECULAR FORMULA: C52H94O11
MOLECULAR WEIGHT: 895.29616
SMILES: CCCCCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(=O)O/C=C/CCCCCCCCCCCCCCCC
CAS RN: 83721-58-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H21BrN2O5
MOLECULAR WEIGHT: 725.54124
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C5C=CC=C6C5=C7C(=C4)C(=O)C8=C9C7=C(C6=O)C=C(C9=CC=C8)Br)C(=O)C1=CC=CC=C1C3=O
CAS RN: 825-89-8
CAS Name: 4-hydroxybenzenesulfonate; manganese(2+)
OPENEYE Name: manganous 4-hydroxybenzenesulfonate
IUPAC Name: 4-hydroxybenzenesulfonate; manganese(2+)
SYSTEMATIC NAME: manganese(2+); 4-oxidanylbenzenesulfonate
MOLECULAR FORMULA: C12H10MnO8S2
MOLECULAR WEIGHT: 401.271049
SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Mn+2]
CAS RN: 93841-56-6
CAS Name: 2-(6-methoxy-1-methyl-9H-carbazol-2-yl)-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-benzyl-2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethanamine hydrochloride
IUPAC Name: N-benzyl-2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(6-methoxy-1-methyl-9H-carbazol-2-yl)-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C23H25ClN2O
MOLECULAR WEIGHT: 380.9104
SMILES: CC1=C(C=CC2=C1NC3=C2C=C(C=C3)OC)CCNCC4=CC=CC=C4.Cl
CAS RN: 72828-94-5
CAS Name: benzoic acid 2-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethylanilino]ethyl ester; hydrogen sulfate
OPENEYE Name: 2-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethyl-anilino]ethyl benzoate; hydrogen sulfate
IUPAC Name: 2-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylanilino]ethyl benzoate; hydrogen sulfate
SYSTEMATIC NAME: 2-[[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-ethyl-amino]ethyl benzoate; hydrogen sulfate
MOLECULAR FORMULA: C21H26N6O6S
MOLECULAR WEIGHT: 490.53274
SMILES: CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C.OS(=O)(=O)[O-]
CAS RN: 91112-46-8
CAS Name: (2E,7E)-4-methylnona-2,7-dienedioic acid; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-methylprop-2-enoate; (2E,7E)-4-methylnona-2,7-dienedioic acid
IUPAC Name: methyl 2-methylprop-2-enoate; (2E,7E)-4-methylnona-2,7-dienedioic acid
SYSTEMATIC NAME: methyl 2-methylprop-2-enoate; (2E,7E)-4-methylnona-2,7-dienedioic acid
MOLECULAR FORMULA: C15H22O6
MOLECULAR WEIGHT: 298.33158
SMILES: CC(CC/C=C/C(=O)O)/C=C/C(=O)O.CC(=C)C(=O)OC
CAS RN: 156856-31-4
CAS Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-hydroxy-6-[(4E,6E,9E)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]-4-pyranone
OPENEYE Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-hydroxy-6-[(3E,5E,8E)-2-hydroxy-7-(hydroxymethyl)-1,1,5,9,11-pentamethyl-heptadeca-3,5,8-trienyl]pyran-4-one
IUPAC Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-hydroxy-6-[(4E,6E,9E)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,6S)-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-6-[(4E,6E,9E)-8-(hydroxymethyl)-2,6,10,12-tetramethyl-3-oxidanyl-octadeca-4,6,9-trien-2-yl]-2-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C34H54O9
MOLECULAR WEIGHT: 606.78716
SMILES: CCCCCCC(C)C/C(=C/C(CO)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=O)C(=C(O1)O)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O)/C
CAS RN: 138636-86-9
CAS Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-1-naphthalenolate
OPENEYE Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate
IUPAC Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfonaphthalen-1-olate
SYSTEMATIC NAME: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate
MOLECULAR FORMULA: C29H22N2O7S
MOLECULAR WEIGHT: 542.55918
SMILES: C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O
CAS RN: 252058-60-9
CAS Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-1-naphthalenolate
OPENEYE Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate
IUPAC Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfonaphthalen-1-olate
SYSTEMATIC NAME: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate
MOLECULAR FORMULA: C29H22N2O7S
MOLECULAR WEIGHT: 542.55918
SMILES: C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O
CAS RN: 71873-02-4
CAS Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxooctadec-9-enyl] sulfate
OPENEYE Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxo-octadec-9-enyl] sulfate
IUPAC Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxooctadec-9-enyl] sulfate
SYSTEMATIC NAME: disodium [(Z,7R)-18-butoxy-7-oxidanidyl-18-oxidanylidene-octadec-9-enyl] sulfate
MOLECULAR FORMULA: C22H40Na2O7S
MOLECULAR WEIGHT: 494.59334
SMILES: CCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCCOS(=O)(=O)[O-])[O-].[Na+].[Na+]
CAS RN: 81611-40-7
CAS Name: ammonium 2,4-di(undecyl)benzenesulfonate
OPENEYE Name: ammonium 2,4-di(undecyl)benzenesulfonate
IUPAC Name: azanium 2,4-di(undecyl)benzenesulfonate
SYSTEMATIC NAME: azanium 2,4-di(undecyl)benzenesulfonate
MOLECULAR FORMULA: C28H53NO3S
MOLECULAR WEIGHT: 483.79032
SMILES: CCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCC.[NH4+]
CAS RN: 72828-86-5
CAS Name: hexasodium 3-[4-[4-[(E)-2-[4-[4-[(4,8-disulfonato-2-naphthalenyl)azo]-3-methylphenyl]azo-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]azo-2-methylphenyl]azonaphthalene-1,5-disulfonate
OPENEYE Name: hexasodium 3-[4-[4-[(E)-2-[4-[4-[(4,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]azo-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,5-disulfonate
IUPAC Name: hexasodium 3-[[4-[[4-[(E)-2-[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
SYSTEMATIC NAME: hexasodium 3-[[4-[[4-[(E)-2-[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]diazenyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C48H30N8Na6O18S6
MOLECULAR WEIGHT: 1337.12322
SMILES: CC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N=NC4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC7=CC(=C8C=CC=C(C8=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CAS RN: 83969-16-8
CAS Name: 2-[4-(2,6-dibromo-4-nitrophenyl)azo-N-ethylanilino]ethyl-trimethylammonium; hydrogen sulfate
OPENEYE Name: 2-[4-(2,6-dibromo-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-trimethyl-ammonium; hydrogen sulfate
IUPAC Name: 2-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium; hydrogen sulfate
SYSTEMATIC NAME: 2-[[4-[[2,6-bis(bromanyl)-4-nitro-phenyl]diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium; hydrogen sulfate
MOLECULAR FORMULA: C19H25Br2N5O6S
MOLECULAR WEIGHT: 611.3047
SMILES: CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br.OS(=O)(=O)[O-]
CAS RN: 93839-56-6
CAS Name: methyl(triphenyl)phosphonium; 2,3,5,6-tetrachlorophenolate
OPENEYE Name: methyl(triphenyl)phosphonium; 2,3,5,6-tetrachlorophenolate
IUPAC Name: methyl(triphenyl)phosphanium; 2,3,5,6-tetrachlorophenolate
SYSTEMATIC NAME: methyl(triphenyl)phosphanium; 2,3,5,6-tetrakis(chloranyl)phenolate
MOLECULAR FORMULA: C25H19Cl4OP
MOLECULAR WEIGHT: 508.203521
SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C(=C(C(=C1Cl)Cl)[O-])Cl)Cl
CAS RN: 97660-75-8
CAS Name: 1-(3,5,5-trimethyl-1-tridecoxyhexoxy)tridecane
OPENEYE Name: 1-(3,5,5-trimethyl-1-tridecoxy-hexoxy)tridecane
IUPAC Name: 1-(3,5,5-trimethyl-1-tridecoxyhexoxy)tridecane
SYSTEMATIC NAME: 1-(3,5,5-trimethyl-1-tridecoxy-hexoxy)tridecane
MOLECULAR FORMULA: C35H72O2
MOLECULAR WEIGHT: 524.94498
SMILES: CCCCCCCCCCCCCOC(CC(C)CC(C)(C)C)OCCCCCCCCCCCCC
CAS RN: 99363-35-6
CAS Name: 2-(chloromethyl)oxirane; 1,3-dioxo-5-isobenzofurancarboxylic acid; 4-[2-(4-phenoxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,3-dioxoisobenzofuran-5-carboxylic acid; 4-[1-methyl-1-(4-phenoxyphenyl)ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,3-dioxo-2-benzofuran-5-carboxylic acid; 4-[2-(4-phenoxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2-(chloromethyl)oxirane; 4-[2-(4-phenoxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C33H29ClO8
MOLECULAR WEIGHT: 589.03156
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OC3=CC=CC=C3.C1C(O1)CCl.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
CAS RN: 85223-13-8
CAS Name: 6'-(dibutylamino)-2'-[4-(1-piperidinylsulfonyl)anilino]-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6'-(dibutylamino)-2'-[4-(1-piperidylsulfonyl)anilino]spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6'-(dibutylamino)-2'-(4-piperidin-1-ylsulfonylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6'-(dibutylamino)-2'-[(4-piperidin-1-ylsulfonylphenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C39H43N3O5S
MOLECULAR WEIGHT: 665.84082
SMILES: CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=C(C=C6)S(=O)(=O)N7CCCCC7
CAS RN: 93940-08-0
CAS Name: dichloro-(2-chloro-3-prop-2-enoxypropoxy)phosphine
OPENEYE Name: (3-allyloxy-2-chloro-propoxy)-dichloro-phosphane
IUPAC Name: dichloro-(2-chloro-3-prop-2-enoxypropoxy)phosphane
SYSTEMATIC NAME: bis(chloranyl)-(2-chloranyl-3-prop-2-enoxy-propoxy)phosphane
MOLECULAR FORMULA: C6H10Cl3O2P
MOLECULAR WEIGHT: 251.475161
SMILES: C=CCOCC(COP(Cl)Cl)Cl
CAS RN: 73398-25-1
CAS Name: (7-anilino-3-phenoxazinylidene)-diethylammonium; trichlorozinc(1-)
OPENEYE Name: (7-anilinophenoxazin-3-ylidene)-diethyl-ammonium; trichlorozinc(1-)
IUPAC Name: (7-anilinophenoxazin-3-ylidene)-diethylazanium; trichlorozinc(1-)
SYSTEMATIC NAME: diethyl-(7-phenylazanylphenoxazin-3-ylidene)azanium; tris(chloranyl)zinc(1-)
MOLECULAR FORMULA: C22H22Cl3N3OZn
MOLECULAR WEIGHT: 516.19758
SMILES: CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4)OC2=C1)CC.Cl[Zn-](Cl)Cl
CAS RN: 93962-71-1
CAS Name: 2-methyl-2-propenoic acid 2-[3-methoxypropyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]amino]ethyl ester
OPENEYE Name: 2-[3-methoxypropyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
IUPAC Name: 2-[3-methoxypropyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[3-methoxypropyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H27NO5
MOLECULAR WEIGHT: 313.38928
SMILES: CC(=C)C(=O)OCCN(CCCOC)CCOC(=O)C(=C)C
CAS RN: 93940-19-3
CAS Name: 4-[[(4-carboxycyclohexyl)methylamino]methyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-[[(4-carboxycyclohexyl)methylamino]methyl]cyclohexanecarboxylic acid
IUPAC Name: 4-[[(4-carboxycyclohexyl)methylamino]methyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[[(4-carboxycyclohexyl)methylamino]methyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C16H27NO4
MOLECULAR WEIGHT: 297.38988
SMILES: C1CC(CCC1CNCC2CCC(CC2)C(=O)O)C(=O)O
CAS RN: 94199-53-8
CAS Name: trisodium 4-[4-[4-[(2E)-2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: trisodium 4-[4-[4-[(2E)-2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: trisodium 4-[[4-[4-[(2E)-2-[4-hydroxy-6-oxo-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: trisodium 5-oxidanylidene-4-[[4-[4-[(2E)-2-[4-oxidanyl-6-oxidanylidene-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C34H21N8Na3O11S2
MOLECULAR WEIGHT: 850.67685
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])N/N=C/5\C=C(C(=CC5=O)O)N=NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 97862-53-8
CAS Name: 2-ethylhexanoic acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
MOLECULAR FORMULA: C30H60O13
MOLECULAR WEIGHT: 628.7896
SMILES: CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
CAS RN: 93919-20-1
CAS Name: 4-(2,6-dichloro-4-nitrophenyl)azo-N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline hydroxide
OPENEYE Name: 4-(2,6-dichloro-4-nitro-phenyl)azo-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide
IUPAC Name: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide
SYSTEMATIC NAME: 4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide
MOLECULAR FORMULA: C21H21Cl2N5O3
MOLECULAR WEIGHT: 462.32914
SMILES: CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl.[OH-]
CAS RN: 73297-05-9
CAS Name: 4-methyl-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline chloride
OPENEYE Name: 4-methyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline chloride
IUPAC Name: 4-methyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
SYSTEMATIC NAME: 4-methyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
MOLECULAR FORMULA: C20H23ClN2
MOLECULAR WEIGHT: 326.86302
SMILES: CC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-]
CAS RN: 93924-03-9
CAS Name: 2-[2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-yl]ethanamine
OPENEYE Name: 2-[2-(1,1-dimethylheptyl)-4,5-dihydroimidazol-1-yl]ethanamine
IUPAC Name: 2-[2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-yl]ethanamine
SYSTEMATIC NAME: 2-[2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-yl]ethanamine
MOLECULAR FORMULA: C14H29N3
MOLECULAR WEIGHT: 239.40016
SMILES: CCCCCCC(C)(C)C1=NCCN1CCN
CAS RN: 85371-62-6
CAS Name: N-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
OPENEYE Name: N-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide
IUPAC Name: N-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(3-ethoxypropyl)benzenesulfonamide
SYSTEMATIC NAME: N-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-N-(3-ethoxypropyl)benzenesulfonamide
MOLECULAR FORMULA: C25H24N2O7S
MOLECULAR WEIGHT: 496.53226
SMILES: CCOCCCN(OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)C4=CC=CC=C4
CAS RN: 19524-05-1
CAS Name: sodium 2-bromo-4-cyano-6-iodophenolate
OPENEYE Name: sodium 2-bromo-4-cyano-6-iodo-phenolate
IUPAC Name: sodium 2-bromo-4-cyano-6-iodophenolate
SYSTEMATIC NAME: sodium 2-bromanyl-4-cyano-6-iodanyl-phenolate
MOLECULAR FORMULA: C7H2BrINNaO
MOLECULAR WEIGHT: 345.89512
SMILES: C1=C(C=C(C(=C1Br)[O-])I)C#N.[Na+]
CAS RN: 19512-35-7
CAS Name: (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methanesulfonic acid; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
OPENEYE Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methanesulfonic acid; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methanesulfonic acid; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
SYSTEMATIC NAME: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methanesulfonic acid; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
MOLECULAR FORMULA: C19H24N6O9S
MOLECULAR WEIGHT: 512.49366
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=C(C2=CC(=C(C=C2OC1=O)O)O)CS(=O)(=O)O.C(CN)N
CAS RN: 71156-03-1
CAS Name: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol
OPENEYE Name: adipic acid; benzene-1,2,4-tricarboxylic acid; hexane-1,6-diol
IUPAC Name: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol
SYSTEMATIC NAME: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol
MOLECULAR FORMULA: C21H30O12
MOLECULAR WEIGHT: 474.4557
SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
CAS RN: 16625-72-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18ClNO4
MOLECULAR WEIGHT: 335.78212
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)O)O)O.Cl
CAS RN: 94022-02-3
CAS Name: (4aS,8aS)-3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydro-2-benzopyran
OPENEYE Name: (4aS,8aS)-3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydroisochromene
IUPAC Name: (4aS,8aS)-3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydroisochromene
SYSTEMATIC NAME: (4aS,8aS)-3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydroisochromene
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1=C(C[C@@H]2COC(C[C@@H]2C1)(C)C)C
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