CAS RN: 153454-44-5
CAS Name: sodium 5-pentoxybenzotriazol-1-ide
OPENEYE Name: sodium 5-pentoxybenzotriazol-1-ide
IUPAC Name: sodium 5-pentoxybenzotriazol-1-ide
SYSTEMATIC NAME: sodium 5-pentoxybenzotriazol-1-ide
MOLECULAR FORMULA: C11H14N3NaO
MOLECULAR WEIGHT: 227.23813
SMILES: CCCCCOC1=CC2=C(C=C1)[N-]N=N2.[Na+]
CAS RN: 101227-29-6
CAS Name: hexane-1,6-diamine; 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; propane-1,2-diamine
OPENEYE Name: hexane-1,6-diamine; 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane; propane-1,2-diamine
IUPAC Name: hexane-1,6-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; propane-1,2-diamine
SYSTEMATIC NAME: hexane-1,6-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; propane-1,2-diamine
MOLECULAR FORMULA: C30H50N4O4
MOLECULAR WEIGHT: 530.7424
SMILES: CC(CN)N.CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C(CCCN)CCN
CAS RN: 94109-40-7
CAS Name: potassium disodium (3Z)-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate
OPENEYE Name: potassium disodium (3Z)-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate
IUPAC Name: potassium disodium (3Z)-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate
SYSTEMATIC NAME: potassium disodium (3Z)-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate
MOLECULAR FORMULA: C19H16KN3Na2O13S4
MOLECULAR WEIGHT: 707.68048
SMILES: CN(C1=CC2=C(C=C1)C=C(/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+]
CAS RN: 93665-46-4
CAS Name: (Z)-2-butenedioic acid; 2-[4-[(3Z)-3-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[(3Z)-3-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[(3Z)-3-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[4-[(3Z)-3-(2-chloranyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C31H35ClN2O9S
MOLECULAR WEIGHT: 647.1356
SMILES: C1N(CCN(C1)CCO)CC/C=C/2\C3=C(SCC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
CAS RN: 70776-85-1
CAS Name: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 3-mercaptopropanoic acid
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 3-sulfanylpropanoic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 3-sulfanylpropanoic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 3-sulfanylpropanoic acid
MOLECULAR FORMULA: C14H28O8S
MOLECULAR WEIGHT: 356.43232
SMILES: CC(C)(CO)CO.C(CCC(=O)O)CC(=O)O.C(CS)C(=O)O
CAS RN: 70851-58-0
CAS Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate
OPENEYE Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate
IUPAC Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate
SYSTEMATIC NAME: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate
MOLECULAR FORMULA: C14H9NNa2O6S2
MOLECULAR WEIGHT: 397.3339
SMILES: CC1=NC2=C(C=C1)C3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 94088-20-7
CAS Name: 2-ethyl-3-methyl-4,5-dioxo-3-oxolanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-ethyl-3-methyl-4,5-dioxo-tetrahydrofuran-3-carboxylate
IUPAC Name: ethyl 2-ethyl-3-methyl-4,5-dioxooxolane-3-carboxylate
SYSTEMATIC NAME: ethyl 2-ethyl-3-methyl-4,5-bis(oxidanylidene)oxolane-3-carboxylate
MOLECULAR FORMULA: C10H14O5
MOLECULAR WEIGHT: 214.21516
SMILES: CCC1C(C(=O)C(=O)O1)(C)C(=O)OCC
CAS RN: 93776-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14CuO4
MOLECULAR WEIGHT: 285.78316
SMILES: C1CC2CC1C3C2C(C(C3)C(=O)[O-])C(=O)[O-].[Cu+2]
CAS RN: 85153-41-9
CAS Name: 1-[(9,10-dioxo-1-anthracenyl)amino]-5-[(7-oxo-3-benzo[a]phenalenyl)amino]anthracene-9,10-dione
OPENEYE Name: 1-[(9,10-dioxo-1-anthryl)amino]-5-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
IUPAC Name: 1-[(9,10-dioxoanthracen-1-yl)amino]-5-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
SYSTEMATIC NAME: 1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-[(7-oxidanylidenebenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C45H24N2O5
MOLECULAR WEIGHT: 672.68246
SMILES: C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O)C=CC=C4C2=O
CAS RN: 93982-81-1
CAS Name: 3-(2-undecyl-4,5-dihydroimidazol-1-yl)-1-propanamine
OPENEYE Name: 3-(2-undecyl-4,5-dihydroimidazol-1-yl)propan-1-amine
IUPAC Name: 3-(2-undecyl-4,5-dihydroimidazol-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(2-undecyl-4,5-dihydroimidazol-1-yl)propan-1-amine
MOLECULAR FORMULA: C17H35N3
MOLECULAR WEIGHT: 281.4799
SMILES: CCCCCCCCCCCC1=NCCN1CCCN
CAS RN: 85187-85-5
CAS Name: 3-[(2-chlorophenyl)-(1-methyl-2-phenyl-3-indolyl)methylidene]-10,12-dioxa-11$l^{6}-thiaspiro[5.8]tetradeca-1,4-diene 11,11-dioxide
OPENEYE Name: 3-[(2-chlorophenyl)-(1-methyl-2-phenyl-indol-3-yl)methylene]-10,12-dioxa-11$l^{6}-thiaspiro[5.8]tetradeca-1,4-diene 11,11-dioxide
IUPAC Name: 3-[(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methylidene]-10,12-dioxa-11$l^{6}-thiaspiro[5.8]tetradeca-1,4-diene 11,11-dioxide
SYSTEMATIC NAME: 3-[(2-chlorophenyl)-(1-methyl-2-phenyl-indol-3-yl)methylidene]-10,12-dioxa-11$l^{6}-thiaspiro[5.8]tetradeca-1,4-diene 11,11-dioxide
MOLECULAR FORMULA: C33H30ClNO4S
MOLECULAR WEIGHT: 572.1136
SMILES: CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=C4C=CC5(CCCOS(=O)(=O)OCC5)C=C4)C6=CC=CC=C6Cl
CAS RN: 94349-32-3
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; 6-[benzenesulfonyl(methyl)amino]hexanoic acid
OPENEYE Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; 6-[benzenesulfonyl(methyl)amino]hexanoic acid
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; 6-[benzenesulfonyl(methyl)amino]hexanoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; 6-[methyl(phenylsulfonyl)amino]hexanoic acid
MOLECULAR FORMULA: C21H42N6O4S
MOLECULAR WEIGHT: 474.66098
SMILES: CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1.C(CNCCNCCNCCN)N
CAS RN: 79313-78-3
CAS Name: 2-hydroxyacetic acid; phenyl-[(E)-(1,3,3-trimethyl-2-indolylidene)methyl]diazene
OPENEYE Name: 2-hydroxyacetic acid; phenyl-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]diazene
IUPAC Name: 2-hydroxyacetic acid; phenyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SYSTEMATIC NAME: 2-oxidanylethanoic acid; phenyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
MOLECULAR FORMULA: C20H23N3O3
MOLECULAR WEIGHT: 353.41492
SMILES: CC\1(C2=CC=CC=C2N(/C1=C/N=NC3=CC=CC=C3)C)C.C(C(=O)O)O
CAS RN: 17048-31-6
CAS Name: N-butyl-N-[2-[2-(dibutylamino)ethoxy-dimethylsilyl]oxyethyl]-1-butanamine
OPENEYE Name: N-butyl-N-[2-[2-(dibutylamino)ethoxy-dimethyl-silyl]oxyethyl]butan-1-amine
IUPAC Name: N-butyl-N-[2-[2-(dibutylamino)ethoxy-dimethylsilyl]oxyethyl]butan-1-amine
SYSTEMATIC NAME: N-butyl-N-[2-[2-(dibutylamino)ethoxy-dimethyl-silyl]oxyethyl]butan-1-amine
MOLECULAR FORMULA: C22H50N2O2Si
MOLECULAR WEIGHT: 402.7301
SMILES: CCCCN(CCCC)CCO[Si](C)(C)OCCN(CCCC)CCCC
CAS RN: 84680-03-5
CAS Name: formaldehyde; phenol; 2-propanone; urea
OPENEYE Name: acetone; formaldehyde; phenol; urea
IUPAC Name: formaldehyde; phenol; propan-2-one; urea
SYSTEMATIC NAME: methanal; phenol; propan-2-one; urea
MOLECULAR FORMULA: C11H18N2O4
MOLECULAR WEIGHT: 242.27162
SMILES: CC(=O)C.C=O.C1=CC=C(C=C1)O.C(=O)(N)N
CAS RN: 81506-50-5
CAS Name: N-ethylethanamine; methanesulfonic acid
OPENEYE Name: N-ethylethanamine; methanesulfonic acid
IUPAC Name: N-ethylethanamine; methanesulfonic acid
SYSTEMATIC NAME: N-ethylethanamine; methanesulfonic acid
MOLECULAR FORMULA: C5H15NO3S
MOLECULAR WEIGHT: 169.2425
SMILES: CCNCC.CS(=O)(=O)O
CAS RN: 12025-13-7
CAS Name: dimagnesium; germanium; oxygen(2-)
OPENEYE Name: dimagnesium; germanium; oxygen(2-)
IUPAC Name: dimagnesium; germanium; oxygen(2-)
SYSTEMATIC NAME: dimagnesium; germanium; oxygen(2-)
MOLECULAR FORMULA: GeMg2O4-4
MOLECULAR WEIGHT: 185.2476
SMILES: [O-2].[O-2].[O-2].[O-2].[Mg+2].[Mg+2].[Ge]
CAS RN: 12794-55-7
CAS Name: dimagnesium; germanium; oxygen(2-)
OPENEYE Name: dimagnesium; germanium; oxygen(2-)
IUPAC Name: dimagnesium; germanium; oxygen(2-)
SYSTEMATIC NAME: dimagnesium; germanium; oxygen(2-)
MOLECULAR FORMULA: GeMg2O4-4
MOLECULAR WEIGHT: 185.2476
SMILES: [O-2].[O-2].[O-2].[O-2].[Mg+2].[Mg+2].[Ge]
CAS RN: 196193-28-9
CAS Name: dimagnesium; germanium; oxygen(2-)
OPENEYE Name: dimagnesium; germanium; oxygen(2-)
IUPAC Name: dimagnesium; germanium; oxygen(2-)
SYSTEMATIC NAME: dimagnesium; germanium; oxygen(2-)
MOLECULAR FORMULA: GeMg2O4-4
MOLECULAR WEIGHT: 185.2476
SMILES: [O-2].[O-2].[O-2].[O-2].[Mg+2].[Mg+2].[Ge]
CAS RN: 67179-23-1
CAS Name: dimagnesium; germanium; oxygen(2-)
OPENEYE Name: dimagnesium; germanium; oxygen(2-)
IUPAC Name: dimagnesium; germanium; oxygen(2-)
SYSTEMATIC NAME: dimagnesium; germanium; oxygen(2-)
MOLECULAR FORMULA: GeMg2O4-4
MOLECULAR WEIGHT: 185.2476
SMILES: [O-2].[O-2].[O-2].[O-2].[Mg+2].[Mg+2].[Ge]
CAS RN: 12063-07-9
CAS Name: lithium; iron(2+); iron(3+); oxygen(2-)
OPENEYE Name: ferric ferrous lithium oxygen(2-)
IUPAC Name: lithium; iron(2+); iron(3+); oxygen(2-)
SYSTEMATIC NAME: lithium; iron(2+); iron(3+); oxygen(2-)
MOLECULAR FORMULA: Fe2LiO4-2
MOLECULAR WEIGHT: 182.6286
SMILES: [Li+].[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3]
CAS RN: 84824-98-6
CAS Name: 6-tert-butyl-2,3-dimethyl-4-(4-morpholinylmethyl)phenol
OPENEYE Name: 6-tert-butyl-2,3-dimethyl-4-(morpholinomethyl)phenol
IUPAC Name: 6-tert-butyl-2,3-dimethyl-4-(morpholin-4-ylmethyl)phenol
SYSTEMATIC NAME: 6-tert-butyl-2,3-dimethyl-4-(morpholin-4-ylmethyl)phenol
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CC1=C(C(=C(C=C1CN2CCOCC2)C(C)(C)C)O)C
CAS RN: 16680-50-5
CAS Name: sodium [(13S,14S,17S)-17-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl]methyl sulfate
OPENEYE Name: sodium [(13S,14S,17S)-17-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl]methyl sulfate
IUPAC Name: sodium [(13S,14S,17S)-17-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl]methyl sulfate
SYSTEMATIC NAME: sodium [(13S,14S,17S)-13-methyl-17-oxidanyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl]methyl sulfate
MOLECULAR FORMULA: C19H21NaO5S
MOLECULAR WEIGHT: 384.42181
SMILES: C[C@]12CCC3=C([C@@H]1CC[C@@H]2O)C=CC4=C3C=CC(=C4)COS(=O)(=O)[O-].[Na+]
CAS RN: 71412-13-0
CAS Name: 2-amino-1H-pyrazol-5-one
OPENEYE Name: 2-amino-1H-pyrazol-5-one
IUPAC Name: 2-amino-1H-pyrazol-5-one
SYSTEMATIC NAME: 2-azanyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C3H5N3O
MOLECULAR WEIGHT: 99.0913
SMILES: C1=CN(NC1=O)N
CAS RN: 94278-06-5
CAS Name: tetrapotassium N,N-bis(phosphonatomethyl)-2-propanamine
OPENEYE Name: tetrapotassium N,N-bis(phosphonatomethyl)propan-2-amine
IUPAC Name: tetrapotassium N,N-bis(phosphonatomethyl)propan-2-amine
SYSTEMATIC NAME: tetrapotassium N,N-bis(phosphonatomethyl)propan-2-amine
MOLECULAR FORMULA: C5H11K4NO6P2
MOLECULAR WEIGHT: 399.484662
SMILES: CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
CAS RN: 97752-31-3
CAS Name: (7-amino-8-methoxy-3-phenoxazinylidene)-dimethylammonium acetate
OPENEYE Name: (7-amino-8-methoxy-phenoxazin-3-ylidene)-dimethyl-ammonium acetate
IUPAC Name: (7-amino-8-methoxyphenoxazin-3-ylidene)-dimethylazanium acetate
SYSTEMATIC NAME: (7-azanyl-8-methoxy-phenoxazin-3-ylidene)-dimethyl-azanium ethanoate
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: CC(=O)[O-].C[N+](=C1C=CC2=NC3=CC(=C(C=C3OC2=C1)N)OC)C
CAS RN: 72089-03-3
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; 2-propenoic acid; 2-propenoic acid butyl ester
OPENEYE Name: acrylic acid; N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; butyl prop-2-enoate
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; butyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; butyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C18H39N5O4
MOLECULAR WEIGHT: 389.53336
SMILES: CCCCOC(=O)C=C.C=CC(=O)O.C(CNCCNCCNCCN)N
CAS RN: 93857-83-1
CAS Name: (2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[(2E)-2-(1-ethyl-4-quinolinylidene)ethylidene]-3-prop-2-enyl-4-thiazolidinone; hydrogen sulfate
OPENEYE Name: (2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylene]-3-allyl-5-[(2E)-2-(1-ethyl-4-quinolylidene)ethylidene]thiazolidin-4-one; hydrogen sulfate
IUPAC Name: (2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one; hydrogen sulfate
SYSTEMATIC NAME: (2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one; hydrogen sulfate
MOLECULAR FORMULA: C33H39N3O6S2
MOLECULAR WEIGHT: 637.80926
SMILES: CCC12CC(=C(C=C1OC(=[N+]2CC)/C=C\3/N(C(=O)/C(=C\C=C\4/C=CN(C5=CC=CC=C45)CC)/S3)CC=C)C)C.OS(=O)(=O)[O-]
CAS RN: 18693-26-0
CAS Name: 5-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
OPENEYE Name: 5-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthryl)-1,8-dihydroxy-3-methyl-anthracene-9,10-dione
IUPAC Name: 5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
SYSTEMATIC NAME: 3-methyl-5-[7-methyl-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O8
MOLECULAR WEIGHT: 506.45912
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C=C6C5=O)C)O)O
CAS RN: 31237-02-2
CAS Name: disodium (3Z)-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-1-naphthalenesulfonate
OPENEYE Name: disodium (3Z)-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-1-sulfonate
IUPAC Name: disodium (3Z)-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate
SYSTEMATIC NAME: disodium (3Z)-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate
MOLECULAR FORMULA: C19H16N2Na2O11S3
MOLECULAR WEIGHT: 590.51168
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N/N=C\2/C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 180045-58-3
CAS Name: 1-[2-(2-hydroxyethylamino)ethyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]urea; oxalic acid
OPENEYE Name: 1-[2-(2-hydroxyethylamino)ethyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea; oxalic acid
IUPAC Name: 1-[2-(2-hydroxyethylamino)ethyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 1-[2-(2-hydroxyethylamino)ethyl]-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]urea
MOLECULAR FORMULA: C14H20N4O7
MOLECULAR WEIGHT: 356.3312
SMILES: C1=CC(=O)C=CC1=CNNC(=O)NCCNCCO.C(=O)(C(=O)O)O
CAS RN: 91098-66-7
CAS Name: N-(3-methylphenyl)-N-[1-[4-(2-phenylethyl)-1-piperazinyl]propan-2-yl]propanamide; oxalic acid
OPENEYE Name: N-[1-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-N-(m-tolyl)propanamide; oxalic acid
IUPAC Name: N-(3-methylphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; N-(3-methylphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
MOLECULAR FORMULA: C29H39N3O9
MOLECULAR WEIGHT: 573.63466
SMILES: CCC(=O)N(C1=CC=CC(=C1)C)C(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
CAS RN: 83846-47-3
CAS Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-oxobutanoic acid; piperidine
OPENEYE Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-oxo-butanoic acid; piperidine
IUPAC Name: (2S)-4-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxobutanoic acid; piperidine
SYSTEMATIC NAME: (2S)-4-azanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanylidene-butanoic acid; piperidine
MOLECULAR FORMULA: C21H30N4O5S
MOLECULAR WEIGHT: 450.5517
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O.C1CCNCC1
CAS RN: 71617-23-7
CAS Name: 3-[2-(1-cyclohex-2-enyl)ethyl]cyclohexene
OPENEYE Name: 3-(2-cyclohex-2-en-1-ylethyl)cyclohexene
IUPAC Name: 3-(2-cyclohex-2-en-1-ylethyl)cyclohexene
SYSTEMATIC NAME: 3-(2-cyclohex-2-en-1-ylethyl)cyclohexene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: C1CC=CC(C1)CCC2CCCC=C2
CAS RN: 153568-80-0
CAS Name: dimethyl-bis(prop-2-enyl)ammonium; dimethyl-[2-(1-oxoprop-2-enoxy)ethyl]-(phenylmethyl)ammonium; dichloride
OPENEYE Name: benzyl-dimethyl-(2-prop-2-enoyloxyethyl)ammonium; diallyl(dimethyl)ammonium; dichloride
IUPAC Name: benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium; dimethyl-bis(prop-2-enyl)azanium; dichloride
SYSTEMATIC NAME: dimethyl-bis(prop-2-enyl)azanium; dimethyl-(phenylmethyl)-(2-prop-2-enoyloxyethyl)azanium; dichloride
MOLECULAR FORMULA: C22H36Cl2N2O2
MOLECULAR WEIGHT: 431.43944
SMILES: C[N+](C)(CCOC(=O)C=C)CC1=CC=CC=C1.C[N+](C)(CC=C)CC=C.[Cl-].[Cl-]
CAS RN: 93840-63-2
CAS Name: (Z)-2-butenedioic acid; 10-[2-(dimethylamino)propyl]-N,N-dimethyl-2-phenothiazinesulfonamide
OPENEYE Name: 10-[2-(dimethylamino)propyl]-N,N-dimethyl-phenothiazine-2-sulfonamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 10-[2-(dimethylamino)propyl]-N,N-dimethyl-phenothiazine-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O6S2
MOLECULAR WEIGHT: 507.62286
SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C.C(=C\C(=O)O)\C(=O)O
CAS RN: 94023-03-7
CAS Name: bis(2-ethylhexyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: bis(2-ethylhexyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: bis(2-ethylhexyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: bis(2-ethylhexyl) hydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C20H46NO6P
MOLECULAR WEIGHT: 427.556101
SMILES: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.C(CO)NCCO
CAS RN: 8013-91-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H51BrN2O12
MOLECULAR WEIGHT: 819.73244
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.C[N+]1([C@H]2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[Br-]
CAS RN: 113184-29-5
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene
IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene
SYSTEMATIC NAME: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene
MOLECULAR FORMULA: C21H28N2O5
MOLECULAR WEIGHT: 388.45742
SMILES: CCC(CO)(CO)CO.C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O
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