CAS RN: 83950-36-1
CAS Name: [4-(aminomethyl)-4-ethyl-1-cyclohexa-2,5-dienylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]ammonium sulfate
OPENEYE Name: [4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-[4-(dimethylamino)phenyl]ammonium sulfate
IUPAC Name: [4-(aminomethyl)-4-ethylcyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]azanium sulfate
SYSTEMATIC NAME: [4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-[4-(dimethylamino)phenyl]azanium sulfate
MOLECULAR FORMULA: C56H78N8O8S
MOLECULAR WEIGHT: 1023.33232
SMILES: CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.[O-]S(=O)(=O)[O-]
CAS RN: 70353-88-7
CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-methylanilino]ethyl-trimethylammonium; tetrachlorozinc(2-)
OPENEYE Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-methyl-anilino]ethyl-trimethyl-ammonium; tetrachlorozinc(2-)
IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethyl-trimethylazanium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-methyl-amino]ethyl-trimethyl-azanium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C36H46Cl6N10O4Zn
MOLECULAR WEIGHT: 960.94204
SMILES: CN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.CN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 93982-19-5
CAS Name: sodium 1-(4-methylphenyl)-1-nonadecanesulfonate
OPENEYE Name: sodium 1-(p-tolyl)nonadecane-1-sulfonate
IUPAC Name: sodium 1-(4-methylphenyl)nonadecane-1-sulfonate
SYSTEMATIC NAME: sodium 1-(4-methylphenyl)nonadecane-1-sulfonate
MOLECULAR FORMULA: C26H45NaO3S
MOLECULAR WEIGHT: 460.68847
SMILES: CCCCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C)S(=O)(=O)[O-].[Na+]
CAS RN: 72152-64-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H26ClN8Na3O15S2
MOLECULAR WEIGHT: 1039.24205
SMILES: CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)[O-])OC)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=CC(=C(C=C7O)[N+](=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 125881-35-8
CAS Name: 4-(4-aminophenyl)sulfonylaniline; 5-[4-[4-[(1,3-dioxo-5-isobenzofuranyl)oxy]phenyl]phenoxy]isobenzofuran-1,3-dione; isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenyl)sulfonylaniline; 5-[4-[4-(1,3-dioxoisobenzofuran-5-yl)oxyphenyl]phenoxy]isobenzofuran-1,3-dione; isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenyl)sulfonylaniline; 2-benzofuran-1,3-dione; 5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfonylaniline; 2-benzofuran-1,3-dione; 5-[4-[4-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C48H30N2O13S
MOLECULAR WEIGHT: 874.8224
SMILES: C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC=C1C2=CC=C(C=C2)OC3=CC4=C(C=C3)C(=O)OC4=O)OC5=CC6=C(C=C5)C(=O)OC6=O.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
CAS RN: 74367-92-3
CAS Name: N-ethylaniline; phosphoric acid
OPENEYE Name: N-ethylaniline; phosphoric acid
IUPAC Name: N-ethylaniline; phosphoric acid
SYSTEMATIC NAME: N-ethylaniline; phosphoric acid
MOLECULAR FORMULA: C8H14NO4P
MOLECULAR WEIGHT: 219.174821
SMILES: CCNC1=CC=CC=C1.OP(=O)(O)O
CAS RN: 168533-87-7
CAS Name: 3-oxobutanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl 3-oxobutanoate
IUPAC Name: 2,2-bis(hydroxymethyl)butyl 3-oxobutanoate
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)butyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: CCC(CO)(CO)COC(=O)CC(=O)C
CAS RN: 81514-95-6
CAS Name: 2-methyl-1-propanolate; tin(4+)
OPENEYE Name: stannic 2-methylpropan-1-olate
IUPAC Name: 2-methylpropan-1-olate; tin(4+)
SYSTEMATIC NAME: 2-methylpropan-1-olate; tin(4+)
MOLECULAR FORMULA: C16H36O4Sn
MOLECULAR WEIGHT: 411.16464
SMILES: CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Sn+4]
CAS RN: 93882-00-9
CAS Name: [3-ammonio-4-(2-hydroxyethyl)phenyl]ammonium sulfate
OPENEYE Name: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]ammonium sulfate
IUPAC Name: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]azanium sulfate
SYSTEMATIC NAME: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]azanium sulfate
MOLECULAR FORMULA: C8H14N2O5S
MOLECULAR WEIGHT: 250.27216
SMILES: C1=CC(=C(C=C1[NH3+])[NH3+])CCO.[O-]S(=O)(=O)[O-]
CAS RN: 125352-10-5
CAS Name: copper; furan-2,5-dione; 3-(3-hydroxypropoxy)-1-propanol; sulfate
OPENEYE Name: copper; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol; sulfate
IUPAC Name: copper; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol; sulfate
SYSTEMATIC NAME: copper; furan-2,5-dione; 3-(3-oxidanylpropoxy)propan-1-ol; sulfate
MOLECULAR FORMULA: C10H16CuO10S
MOLECULAR WEIGHT: 391.83904
SMILES: C1=CC(=O)OC1=O.C(CO)COCCCO.[O-]S(=O)(=O)[O-].[Cu+2]
CAS RN: 9011-12-5
CAS Name: 2-methyl-1-propene; styrene
OPENEYE Name: 2-methylprop-1-ene; styrene
IUPAC Name: 2-methylprop-1-ene; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-methylprop-1-ene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CC(=C)C.C=CC1=CC=CC=C1
CAS RN: 72749-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H18N12Na2O18S2
MOLECULAR WEIGHT: 992.68586
SMILES: C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=C(C(=C(C(=C4)N=NC5=CC(=CC(=C5O)[N+](=O)[O-])[N+](=O)[O-])O)N=NC6=CC=C(C=C6)[N+](=O)[O-])O)O)[N+](=O)[O-].[Na+].[Na+]
CAS RN: 98143-52-3
CAS Name: ethyl dihydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: ethyl dihydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: ethyl dihydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: ethyl dihydrogen phosphate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C6H18NO6P
MOLECULAR WEIGHT: 231.183981
SMILES: CCOP(=O)(O)O.C(CO)NCCO
CAS RN: 84051-92-3
CAS Name: trisodium 4-[3-carboxy-5-oxo-4-(3-phosphonatophenyl)azo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: trisodium 4-[3-carboxy-5-oxo-4-(3-phosphonatophenyl)azo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: trisodium 4-[3-carboxy-5-oxo-4-[(3-phosphonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: trisodium 4-[3-carboxy-5-oxidanylidene-4-[(3-phosphonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C16H10N4Na3O9PS
MOLECULAR WEIGHT: 534.280071
SMILES: C1=CC(=CC(=C1)P(=O)([O-])[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O.[Na+].[Na+].[Na+]
CAS RN: 94088-90-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26O3
MOLECULAR WEIGHT: 326.42934
SMILES: CC(=O)[C@]12C(O1)C[C@@H]3[C@@]2(CC=C4[C@H]3CCC5=CC(=O)CC[C@@]54C)C
CAS RN: 93839-48-6
CAS Name: methyl(triphenyl)phosphonium; 2-(phenylmethyl)phenolate
OPENEYE Name: 2-benzylphenolate; methyl(triphenyl)phosphonium
IUPAC Name: 2-benzylphenolate; methyl(triphenyl)phosphanium
SYSTEMATIC NAME: methyl(triphenyl)phosphanium; 2-(phenylmethyl)phenolate
MOLECULAR FORMULA: C32H29OP
MOLECULAR WEIGHT: 460.545821
SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=CC=CC=C2[O-]
CAS RN: 12163-19-8
CAS Name: lutetium(3+); oxygen(2-); sulfide
OPENEYE Name: lutetium(3+); oxygen(2-); sulfide
IUPAC Name: lutetium(3+); oxygen(2-); sulfide
SYSTEMATIC NAME: lutetium(3+); oxygen(2-); sulfide
MOLECULAR FORMULA: Lu2O2S
MOLECULAR WEIGHT: 413.9978
SMILES: [O-2].[O-2].[S-2].[Lu+3].[Lu+3]
CAS RN: 116265-76-0
CAS Name: 2-(2-hydroxyethylamino)ethanol; (3E)-4-oxo-7-[[oxo-[[(6E)-5-oxo-7-sulfo-6-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenyl]amino]methyl]amino]-3-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; (3E)-4-oxo-7-[[(6E)-5-oxo-7-sulfo-6-[(6-sulfo-2-naphthyl)hydrazono]-2-naphthyl]carbamoylamino]-3-[(6-sulfo-2-naphthyl)hydrazono]naphthalene-2-sulfonic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (3E)-4-oxo-7-[[(6E)-5-oxo-7-sulfo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; (3E)-4-oxidanylidene-7-[[(6E)-5-oxidanylidene-7-sulfo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C57H72N10O23S4
MOLECULAR WEIGHT: 1393.49478
SMILES: C1=CC2=C(C=C1N/N=C/3\C(=O)C4=C(C=C3S(=O)(=O)O)C=C(C=C4)NC(=O)NC5=CC6=C(C(=O)/C(=N\NC7=CC8=C(C=C(C=C8)S(=O)(=O)O)C=C7)/C(=C6)S(=O)(=O)O)C=C5)C=CC(=C2)S(=O)(=O)O.C(NCCO)CO.C(NCCO)CO.C(NCCO)CO.C(NCCO)CO
CAS RN: 94108-89-1
CAS Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benze
OPENEYE Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzen
IUPAC Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benze
SYSTEMATIC NAME: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]
MOLECULAR FORMULA: C50H66N14Na4O21S4
MOLECULAR WEIGHT: 1419.35932
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.C(CO)N(CCO)CCO.[Na+].[Na+].[Na+].[Na+]
CAS RN: 93840-08-5
CAS Name: (Z)-1-octadecen-1-olate; zirconium(4+)
OPENEYE Name: (Z)-octadec-1-en-1-olate; zirconium(4+)
IUPAC Name: (Z)-octadec-1-en-1-olate; zirconium(4+)
SYSTEMATIC NAME: (Z)-octadec-1-en-1-olate; zirconium(4+)
MOLECULAR FORMULA: C72H140O4Zr
MOLECULAR WEIGHT: 1161.1036
SMILES: CCCCCCCCCCCCCCCC/C=C\[O-].CCCCCCCCCCCCCCCC/C=C\[O-].CCCCCCCCCCCCCCCC/C=C\[O-].CCCCCCCCCCCCCCCC/C=C\[O-].[Zr+4]
CAS RN: 74186-19-9
CAS Name: N-[[1,3,3-trimethyl-5-[[oxo-(2-oxo-1-azepanyl)methyl]amino]cyclohexyl]methyl]carbamic acid 2-[2-[oxo-[[1,3,3-trimethyl-5-[[oxo-(2-oxo-1-azepanyl)methyl]amino]cyclohexyl]methylamino]methoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methylcarbamoyloxy]ethoxy]ethyl N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]carbamate
IUPAC Name: 2-[2-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methylcarbamoyloxy]ethoxy]ethyl N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]carbamate
SYSTEMATIC NAME: 2-[2-[[1,3,3-trimethyl-5-[(2-oxidanylideneazepan-1-yl)carbonylamino]cyclohexyl]methylcarbamoyloxy]ethoxy]ethyl N-[[1,3,3-trimethyl-5-[(2-oxidanylideneazepan-1-yl)carbonylamino]cyclohexyl]methyl]carbamate
MOLECULAR FORMULA: C40H68N6O9
MOLECULAR WEIGHT: 777.00272
SMILES: CC1(CC(CC(C1)(C)CNC(=O)OCCOCCOC(=O)NCC2(CC(CC(C2)(C)C)NC(=O)N3CCCCCC3=O)C)NC(=O)N4CCCCCC4=O)C
CAS RN: 93637-64-0
CAS Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-propoxyphenyl)-1-imidazolyl]acetamide
OPENEYE Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-2-[4-(4-propoxyphenyl)imidazol-1-yl]acetamide
IUPAC Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-propoxyphenyl)imidazol-1-yl]acetamide
SYSTEMATIC NAME: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-propoxyphenyl)imidazol-1-yl]ethanamide
MOLECULAR FORMULA: C25H29Cl2N5O2
MOLECULAR WEIGHT: 502.43606
SMILES: CCCOC1=CC=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl
CAS RN: 83898-05-9
CAS Name: 2-[2-[2-[2-[2-[2-(diaminomethylideneamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]guanidine dihydrochloride
OPENEYE Name: 2-[2-[2-[2-[2-(2-guanidinoethylamino)ethylamino]ethylamino]ethylamino]ethyl]guanidine dihydrochloride
IUPAC Name: 2-[2-[2-[2-[2-[2-(diaminomethylideneamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]guanidine dihydrochloride
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[bis(azanyl)methylideneamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]guanidine dihydrochloride
MOLECULAR FORMULA: C12H34Cl2N10
MOLECULAR WEIGHT: 389.37136
SMILES: C(CNCCNCCN=C(N)N)NCCNCCN=C(N)N.Cl.Cl
CAS RN: 85153-58-8
CAS Name: dimethoxy(2-phenylethylidene)ammonium chloride
OPENEYE Name: dimethoxy(2-phenylethylidene)ammonium chloride
IUPAC Name: dimethoxy(2-phenylethylidene)azanium chloride
SYSTEMATIC NAME: dimethoxy(2-phenylethylidene)azanium chloride
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: CO/[N+](=C\CC1=CC=CC=C1)/OC.[Cl-]
CAS RN: 43101-34-4
CAS Name: (1R,3R)-3-ethenyl-1-cyclohexanol
OPENEYE Name: (1R,3R)-3-vinylcyclohexanol
IUPAC Name: (1R,3R)-3-ethenylcyclohexan-1-ol
SYSTEMATIC NAME: (1R,3R)-3-ethenylcyclohexan-1-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C=C[C@@H]1CCC[C@H](C1)O
CAS RN: 129678-01-9
CAS Name: 1-di(butan-2-yl)phosphoryl-1-propanol
OPENEYE Name: 1-disec-butylphosphorylpropan-1-ol
IUPAC Name: 1-di(butan-2-yl)phosphorylpropan-1-ol
SYSTEMATIC NAME: 1-di(butan-2-yl)phosphorylpropan-1-ol
MOLECULAR FORMULA: C11H25O2P
MOLECULAR WEIGHT: 220.288761
SMILES: CCC(C)P(=O)(C(C)CC)C(CC)O
CAS RN: 94200-89-2
CAS Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2E)-2-[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2E)-2-[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]anilino]-3-sulfonato-phenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2E)-2-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-5-azanyl-3-[[4-[[4-[(2E)-2-[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C38H31N10Na3O13S3
MOLECULAR WEIGHT: 1000.87625
SMILES: CCN(CC)C1=CC(=O)/C(=N/NC2=CC=C(C=C2)NC3=C(C=C(C=C3)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C1.[Na+].[Na+].[Na+]
CAS RN: 71750-52-2
CAS Name: 6-methyl-2-heptanamine; sulfuric acid
OPENEYE Name: 6-methylheptan-2-amine; sulfuric acid
IUPAC Name: 6-methylheptan-2-amine; sulfuric acid
SYSTEMATIC NAME: 6-methylheptan-2-amine; sulfuric acid
MOLECULAR FORMULA: C16H40N2O4S
MOLECULAR WEIGHT: 356.5648
SMILES: CC(C)CCCC(C)N.CC(C)CCCC(C)N.OS(=O)(=O)O
CAS RN: 76649-39-3
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; hexanedioic acid; sulfuric acid; hydrochloride
OPENEYE Name: adipic acid; N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; sulfuric acid; hydrochloride
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; hexanedioic acid; sulfuric acid; hydrochloride
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-(chloromethyl)oxirane; hexanedioic acid; sulfuric acid; hydrochloride
MOLECULAR FORMULA: C13H31Cl2N3O9S
MOLECULAR WEIGHT: 476.37094
SMILES: C1C(O1)CCl.C(CCC(=O)O)CC(=O)O.C(CNCCN)N.OS(=O)(=O)O.Cl
CAS RN: 84501-63-3
CAS Name: 2-(methylthio)-1H-imidazole hydrobromide
OPENEYE Name: 2-methylsulfanyl-1H-imidazole hydrobromide
IUPAC Name: 2-methylsulfanyl-1H-imidazole hydrobromide
SYSTEMATIC NAME: 2-methylsulfanyl-1H-imidazole hydrobromide
MOLECULAR FORMULA: C4H7BrN2S
MOLECULAR WEIGHT: 195.08078
SMILES: CSC1=NC=CN1.Br
CAS RN: 14940-92-2
CAS Name: (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate
MOLECULAR FORMULA: C49H80O2
MOLECULAR WEIGHT: 701.1583
SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
CAS RN: 93966-50-8
CAS Name: 1-(2-hydroxypropylamino)-2-propanol; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: 1-(2-hydroxypropylamino)propan-2-ol; (E)-3-phenylprop-2-enoic acid
IUPAC Name: 1-(2-hydroxypropylamino)propan-2-ol; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: 1-(2-oxidanylpropylamino)propan-2-ol; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: CC(CNCC(C)O)O.C1=CC=C(C=C1)/C=C/C(=O)O
CAS RN: 128023-59-6
CAS Name: N,N-dimethyl-1-hexadecanamine; formic acid
OPENEYE Name: N,N-dimethylhexadecan-1-amine; formic acid
IUPAC Name: N,N-dimethylhexadecan-1-amine; formic acid
SYSTEMATIC NAME: N,N-dimethylhexadecan-1-amine; methanoic acid
MOLECULAR FORMULA: C19H41NO2
MOLECULAR WEIGHT: 315.53434
SMILES: CCCCCCCCCCCCCCCCN(C)C.C(=O)O
CAS RN: 94231-32-0
CAS Name: 3-[3-(3-hydrazinyl-3-oxopropyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-2-methylpropanehydrazide
OPENEYE Name: 3-[3-(3-hydrazino-3-oxo-propyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-2-methyl-propanehydrazide
IUPAC Name: 3-[3-(3-hydrazinyl-3-oxopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylpropanehydrazide
SYSTEMATIC NAME: 3-[3-(3-diazanyl-3-oxidanylidene-propyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-methyl-propanehydrazide
MOLECULAR FORMULA: C11H20N6O4
MOLECULAR WEIGHT: 300.3143
SMILES: CC1C(=O)N(C(=O)N1CCC(=O)NN)CC(C)C(=O)NN
CAS RN: 16070-29-4
CAS Name: 2-aminoethanol; 2-[methyl-[(Z)-1-oxooctadec-9-enyl]amino]acetic acid
OPENEYE Name: 2-aminoethanol; 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
IUPAC Name: 2-aminoethanol; 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
SYSTEMATIC NAME: 2-azanylethanol; 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoic acid
MOLECULAR FORMULA: C23H46N2O4
MOLECULAR WEIGHT: 414.62234
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O.C(CO)N
CAS RN: 84029-81-2
CAS Name: [(Z)-4-butoxy-1,4-dioxobut-2-enoxy]-[(Z)-4-[5-[(Z)-4-butoxy-1,4-dioxobut-2-enoxy]-5-pentylundecoxy]-1,4-dioxobut-2-enoxy]tin
OPENEYE Name: [(Z)-4-butoxy-4-oxo-but-2-enoyl]oxy-[(Z)-4-[5-[(Z)-4-butoxy-4-oxo-but-2-enoyl]oxy-5-pentyl-undecoxy]-4-oxo-but-2-enoyl]oxy-tin
IUPAC Name: [(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-[(Z)-4-[5-[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-5-pentylundecoxy]-4-oxobut-2-enoyl]oxytin
SYSTEMATIC NAME: [(Z)-4-butoxy-4-oxidanylidene-but-2-enoyl]oxy-[(Z)-4-[5-[(Z)-4-butoxy-4-oxidanylidene-but-2-enoyl]oxy-5-pentyl-undecoxy]-4-oxidanylidene-but-2-enoyl]oxy-tin
MOLECULAR FORMULA: C36H56O12Sn
MOLECULAR WEIGHT: 799.53264
SMILES: CCCCCCC(CCCCC)(CCCCOC(=O)/C=C\C(=O)O[Sn]OC(=O)/C=C\C(=O)OCCCC)OC(=O)/C=C\C(=O)OCCCC
CAS RN: 93820-38-3
CAS Name: 4-ethylmorpholine; 7-methyloctanoic acid
OPENEYE Name: 4-ethylmorpholine; 7-methyloctanoic acid
IUPAC Name: 4-ethylmorpholine; 7-methyloctanoic acid
SYSTEMATIC NAME: 4-ethylmorpholine; 7-methyloctanoic acid
MOLECULAR FORMULA: C15H31NO3
MOLECULAR WEIGHT: 273.41154
SMILES: CCN1CCOCC1.CC(C)CCCCCC(=O)O
CAS RN: 93840-72-3
CAS Name: barium(2+); 8-[3-(2-hydroxyoctyl)-2-oxiranyl]octanoate
OPENEYE Name: barium(2+); 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate
IUPAC Name: barium(2+); 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate
SYSTEMATIC NAME: barium(2+); 8-[3-(2-oxidanyloctyl)oxiran-2-yl]octanoate
MOLECULAR FORMULA: C36H66BaO8
MOLECULAR WEIGHT: 764.23144
SMILES: CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.[Ba+2]
CAS RN: 93893-69-7
CAS Name: 6-cyclopentyl-2-[(3-cyclopentyl-2-hydroxy-5,6-dimethylphenyl)methyl]-3,4-dimethylphenol
OPENEYE Name: 6-cyclopentyl-2-[(3-cyclopentyl-2-hydroxy-5,6-dimethyl-phenyl)methyl]-3,4-dimethyl-phenol
IUPAC Name: 6-cyclopentyl-2-[(3-cyclopentyl-2-hydroxy-5,6-dimethylphenyl)methyl]-3,4-dimethylphenol
SYSTEMATIC NAME: 6-cyclopentyl-2-[(5-cyclopentyl-2,3-dimethyl-6-oxidanyl-phenyl)methyl]-3,4-dimethyl-phenol
MOLECULAR FORMULA: C27H36O2
MOLECULAR WEIGHT: 392.57354
SMILES: CC1=C(C(=C(C(=C1)C2CCCC2)O)CC3=C(C(=CC(=C3C)C)C4CCCC4)O)C
No comments:
Post a Comment