CAS RN: 67958-13-8
CAS Name: (E)-2-butenedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2-pyrrolidinimine
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine
MOLECULAR FORMULA: C19H26N2O6
MOLECULAR WEIGHT: 378.41954
SMILES: CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68610-10-6
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
MOLECULAR FORMULA: C39H65ClN2O3
MOLECULAR WEIGHT: 645.398
SMILES: CCCCCCCC/C=C\CCCCCCCCNCCCN.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 68585-03-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 1-butanol; (Z)-9-octadecenoic acid; tetraethyl silicate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; butan-1-ol; (Z)-octadec-9-enoic acid; tetraethyl silicate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; butan-1-ol; (Z)-octadec-9-enoic acid; tetraethyl silicate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; butan-1-ol; (Z)-octadec-9-enoic acid; tetraethyl silicate
MOLECULAR FORMULA: C36H79NO10Si
MOLECULAR WEIGHT: 714.09866
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCO.CCO[Si](OCC)(OCC)OCC.C(CO)N(CCO)CCO
Structure:
CAS RN: 68584-30-5
CAS Name: ethene; (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene; 1-propene; zinc
OPENEYE Name: ethylene; (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene; prop-1-ene; zinc
IUPAC Name: ethene; (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene; prop-1-ene; zinc
SYSTEMATIC NAME: ethene; (5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene; prop-1-ene; zinc
MOLECULAR FORMULA: C14H22Zn
MOLECULAR WEIGHT: 255.73348
SMILES: CC=C.C/C=C/1\CC2CC1C=C2.C=C.[Zn]
Structure:
CAS RN: 68583-93-7
CAS Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
OPENEYE Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 3-[(1Z,3E)-2-methyl-1-[(E)-prop-1-enyl]penta-1,3-dienyl]-4-[(E)-prop-1-enyl]tetrahydrofuran-2,5-dione
IUPAC Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
MOLECULAR FORMULA: C22H38N4O3
MOLECULAR WEIGHT: 406.56212
SMILES: C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C.C(CNCCNCCN)N
Structure:
CAS RN: 68541-77-5
CAS Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 2-azanylethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C50H97N3O9
MOLECULAR WEIGHT: 884.31988
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CCCC(=O)O)CCCCC(=O)O.C(N)CN.C(N)CO
Structure:
CAS RN: 68541-13-9
CAS Name: 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-1-propanamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 3-[2-[2-(3-azanylpropoxy)ethoxy]ethoxy]propan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C46H88N2O7
MOLECULAR WEIGHT: 781.20012
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(COCCOCCOCCCN)CN
Structure:
CAS RN: 68516-66-5
CAS Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-2-quinolinylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-4-thiazolidin-3-iumone; 4-methylbenzenesulfonate
OPENEYE Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-2-quinolylidene)ethylidene]-3-ethyl-3-methyl-2-thioxo-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate
IUPAC Name: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5Z)-5-[(2E)-2-(6-ethoxy-1-ethyl-quinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H32N2O5S3
MOLECULAR WEIGHT: 572.75908
SMILES: CCN1/C(=C/C=C\2/C(=O)[N+](C(=S)S2)(C)CC)/C=CC3=C1C=CC(=C3)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 68516-42-7
CAS Name: (E)-2,5-dimethyl-2-hexenoic acid; 2-methyl-2-propenoic acid 2-(tert-butylamino)ethyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; methyl 2-methylprop-2-enoate
IUPAC Name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C23H41NO6
MOLECULAR WEIGHT: 427.57474
SMILES: CC(C)C/C=C(\C)/C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCNC(C)(C)C
Structure:
CAS RN: 68444-28-0
CAS Name: 2-(2-hydroxyethylamino)ethanol; (E)-2-octadecenoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; (E)-octadec-2-enoic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (E)-octadec-2-enoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; (E)-octadec-2-enoic acid
MOLECULAR FORMULA: C22H45NO4
MOLECULAR WEIGHT: 387.597
SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)O.C(CO)NCCO
Structure:
CAS RN: 68444-24-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C58H102
MOLECULAR WEIGHT: 799.43048
SMILES: CCCCC=C.CCC/C=C/C.CC/C=C/C.CCC(=C)C.C/C=C/C=C.C/C=C/C(C)C.CC=C(C)C.CC(=C)C=C.C1CC=CC1.C1C=CC2C1C3CC2C=C3
Structure:
CAS RN: 68443-42-5
CAS Name: (E)-12-hydroxy-9-octadecenoic acid methyl ester; 2-propanol; titanium
OPENEYE Name: methyl (E)-12-hydroxyoctadec-9-enoate; propan-2-ol; titanium
IUPAC Name: methyl (E)-12-hydroxyoctadec-9-enoate; propan-2-ol; titanium
SYSTEMATIC NAME: methyl (E)-12-oxidanyloctadec-9-enoate; propan-2-ol; titanium
MOLECULAR FORMULA: C60H116O10Ti
MOLECULAR WEIGHT: 1045.42404
SMILES: CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC.CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC.CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC.CC(O)C.[Ti]
Structure:
CAS RN: 68443-39-0
CAS Name: (E)-10-(3-hexyl-2-oxiranyl)-9-decenoic acid; 2-propanol; titanium
OPENEYE Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium
IUPAC Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H104O10Ti
MOLECULAR WEIGHT: 997.29666
SMILES: CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CC(O)C.[Ti]
Structure:
CAS RN: 68442-61-5
CAS Name: acetic acid; formaldehyde; (E)-2-octene
OPENEYE Name: acetic acid; formaldehyde; (E)-oct-2-ene
IUPAC Name: acetic acid; formaldehyde; (E)-oct-2-ene
SYSTEMATIC NAME: ethanoic acid; methanal; (E)-oct-2-ene
MOLECULAR FORMULA: C11H22O3
MOLECULAR WEIGHT: 202.29058
SMILES: CCCCC/C=C/C.CC(=O)O.C=O
Structure:
CAS RN: 68954-63-2
CAS Name: acetic acid; formaldehyde; (E)-2-octene
OPENEYE Name: acetic acid; formaldehyde; (E)-oct-2-ene
IUPAC Name: acetic acid; formaldehyde; (E)-oct-2-ene
SYSTEMATIC NAME: ethanoic acid; methanal; (E)-oct-2-ene
MOLECULAR FORMULA: C11H22O3
MOLECULAR WEIGHT: 202.29058
SMILES: CCCCC/C=C/C.CC(=O)O.C=O
Structure:
CAS RN: 68442-00-2
CAS Name: 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
OPENEYE Name: 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
IUPAC Name: 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethyloxy)ethyl]amino]ethoxy]ethanol
MOLECULAR FORMULA: C30H59N3O4
MOLECULAR WEIGHT: 525.80716
SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN(CCOCCO)CCOCCO
Structure:
CAS RN: 68034-40-2
CAS Name: 4-[(Z)-6-hydroxy-4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
OPENEYE Name: 4-[(Z)-1-ethyl-4-hydroxy-2-(4-hydroxyphenyl)but-2-enyl]phenol
IUPAC Name: 4-[(Z)-6-hydroxy-4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
SYSTEMATIC NAME: 4-[(Z)-4-(4-hydroxyphenyl)-6-oxidanyl-hex-4-en-3-yl]phenol
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CCC(C1=CC=C(C=C1)O)/C(=C/CO)/C2=CC=C(C=C2)O
Structure:
CAS RN: 68015-99-6
CAS Name: (Z)-13-docosenoic acid; morpholine
OPENEYE Name: (Z)-docos-13-enoic acid; morpholine
IUPAC Name: (Z)-docos-13-enoic acid; morpholine
SYSTEMATIC NAME: (Z)-docos-13-enoic acid; morpholine
MOLECULAR FORMULA: C26H51NO3
MOLECULAR WEIGHT: 425.68804
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.C1COCCN1
Structure:
CAS RN: 68015-76-9
CAS Name: [(E)-2-cyanoethenyl]ammonium; 2-methylenebutanoate; 2-methyl-2-propenoic acid; styrene
OPENEYE Name: [(E)-2-cyanovinyl]ammonium; 2-methylenebutanoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: [(E)-2-cyanoethenyl]azanium; 2-methylidenebutanoate; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: [(E)-2-cyanoethenyl]azanium; ethenylbenzene; 2-methylidenebutanoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CCC(=C)C(=O)[O-].CC(=C)C(=O)O.C=CC1=CC=CC=C1.C(=C/[NH3+])\C#N
Structure:
CAS RN: 68015-68-9
CAS Name: 1-[2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-3-[(E)-octadec-9-enoxy]-2-propanol
OPENEYE Name: 1-[2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-3-[(E)-octadec-9-enoxy]propan-2-ol
IUPAC Name: 1-[2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-3-[(E)-octadec-9-enoxy]propan-2-ol
SYSTEMATIC NAME: 1-[2-[2-[bis[2-(2-hydroxyethyloxy)ethyl]amino]ethyl-[2-(2-hydroxyethyloxy)ethyl]amino]ethyl-[2-(2-hydroxyethyloxy)ethyl]amino]-3-[(E)-octadec-9-enoxy]propan-2-ol
MOLECULAR FORMULA: C41H85N3O10
MOLECULAR WEIGHT: 780.1277
SMILES: CCCCCCCC/C=C/CCCCCCCCOCC(CN(CCN(CCN(CCOCCO)CCOCCO)CCOCCO)CCOCCO)O
Structure:
CAS RN: 68003-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H56
MOLECULAR WEIGHT: 488.82984
SMILES: CCCCC=C.C/C=C/C=C.CC=C(C)C.C1CC=CC1.C1C=CC=C1.C1C=CC2C1C3CC2C=C3
Structure:
CAS RN: 68003-50-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C64H114
MOLECULAR WEIGHT: 883.58996
SMILES: CCCCC=C.CCC/C=C/C.CC/C=C/C.CCC(=C)C.C/C=C/C=C.C/C=C/C(C)C.CC=C(C)C.CC(C)CC=C.CC(=C)C=C.C1CC=CC1.C1C=CC2C1C3CC2C=C3
Structure:
CAS RN: 68003-44-1
CAS Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
OPENEYE Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
IUPAC Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium; 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-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]ben
MOLECULAR FORMULA: C52H72N14Na2O22S4
MOLECULAR WEIGHT: 1419.44822
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)N(CCO)CCO.C(CO)N(CCO)CCO.[Na+].[Na+]
Structure:
CAS RN: 68003-07-6
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-propanol; propane-1,2-diol
OPENEYE Name: fumaric acid; 1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-2-ol; propane-1,2-diol
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol; propane-1,2-diol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[2-[4-(2-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol; propane-1,2-diol
MOLECULAR FORMULA: C28H40O10
MOLECULAR WEIGHT: 536.6112
SMILES: CC(CO)O.CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 67990-28-7
CAS Name: trisodium 4-amino-3-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]azo-1-naphthalenesulfonate
OPENEYE Name: trisodium 4-amino-3-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azo-naphthalene-1-sulfonate
IUPAC Name: trisodium 4-amino-3-[[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: trisodium 4-azanyl-3-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C24H15N4Na3O11S3
MOLECULAR WEIGHT: 700.56041
SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 67953-50-8
CAS Name: (E)-2-butenedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: adipic acid; ethylene glycol; fumaric acid; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: (E)-but-2-enedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C25H34Cl6O17
MOLECULAR WEIGHT: 819.24526
SMILES: C(CCC(=O)O)CC(=O)O.C(CO)O.C(COCCO)O.C(=C/C(=O)O)\C(=O)O.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
Structure:
CAS RN: 67952-92-5
CAS Name: 2-hydroxyacetic acid; (Z)-9-octadecenoic acid 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl ester
OPENEYE Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl (Z)-octadec-9-enoate; 2-hydroxyacetic acid
IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl (Z)-octadec-9-enoate; 2-hydroxyacetic acid
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl (Z)-octadec-9-enoate; 2-oxidanylethanoic acid
MOLECULAR FORMULA: C42H78N2O5
MOLECULAR WEIGHT: 691.07912
SMILES: CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCOC(=O)CCCCCCC/C=C\CCCCCCCC.C(C(=O)O)O
Structure:
CAS RN: 67939-62-2
CAS Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62CdO4
MOLECULAR WEIGHT: 671.28608
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Cd+2]
Structure:
CAS RN: 74231-61-1
CAS Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: cadmium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62CdO4
MOLECULAR WEIGHT: 671.28608
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Cd+2]
Structure:
CAS RN: 67923-77-7
CAS Name: 2-(diethylamino)ethanol; (Z)-9-octadecenoic acid
OPENEYE Name: 2-(diethylamino)ethanol; (Z)-octadec-9-enoic acid
IUPAC Name: 2-(diethylamino)ethanol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 2-(diethylamino)ethanol; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C24H49NO3
MOLECULAR WEIGHT: 399.65076
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCN(CC)CCO
Structure:
CAS RN: 67919-46-4
CAS Name: trisodium [(E)-18-[1,3-bis[(E)-1-oxo-12-sulfonatooxyoctadec-9-enoxy]propan-2-yloxy]-18-oxooctadec-9-en-7-yl] sulfate
OPENEYE Name: trisodium [(E)-12-[2,3-bis[[(E)-12-sulfonatooxyoctadec-9-enoyl]oxy]propoxy]-1-hexyl-12-oxo-dodec-3-enyl] sulfate
IUPAC Name: trisodium [(E)-18-[1,3-bis[[(E)-12-sulfonatooxyoctadec-9-enoyl]oxy]propan-2-yloxy]-18-oxooctadec-9-en-7-yl] sulfate
SYSTEMATIC NAME: trisodium [(E)-18-[1,3-bis[[(E)-12-sulfonatooxyoctadec-9-enoyl]oxy]propan-2-yloxy]-18-oxidanylidene-octadec-9-en-7-yl] sulfate
MOLECULAR FORMULA: C57H101Na3O18S3
MOLECULAR WEIGHT: 1239.56535
SMILES: CCCCCCC(OS(=O)(=O)[O-])C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(OS(=O)(=O)[O-])CCCCCC)COC(=O)CCCCCCC/C=C/CC(OS(=O)(=O)[O-])CCCCCC.[Na+].[Na+].[Na+]
Structure:
CAS RN: 67906-92-7
CAS Name: 3-butenoic acid; (Z)-4-(2-methylpropoxy)-4-oxo-2-butenoic acid; 2-propenoic acid ethyl ester; 2-propenoic acid methyl ester
OPENEYE Name: but-3-enoic acid; ethyl prop-2-enoate; (Z)-4-isobutoxy-4-oxo-but-2-enoic acid; methyl prop-2-enoate
IUPAC Name: but-3-enoic acid; ethyl prop-2-enoate; methyl prop-2-enoate; (Z)-4-(2-methylpropoxy)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: but-3-enoic acid; ethyl prop-2-enoate; methyl prop-2-enoate; (Z)-4-(2-methylpropoxy)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C21H32O10
MOLECULAR WEIGHT: 444.47278
SMILES: CCOC(=O)C=C.CC(C)COC(=O)/C=C\C(=O)O.COC(=O)C=C.C=CCC(=O)O
Structure:
CAS RN: 67846-33-7
CAS Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyl-2-propenoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
OPENEYE Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
IUPAC Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
MOLECULAR FORMULA: C49H89ClN6O5
MOLECULAR WEIGHT: 877.72116
SMILES: CCCCCCCC/C=C\CCCCCCCCNCCCN.CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C(CNCCNCCN)N
Structure:
CAS RN: 67828-25-5
CAS Name: dipotassium disodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: dipotassium disodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: dipotassium disodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: dipotassium disodium 5-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C36H32K2N12Na2O14S4
MOLECULAR WEIGHT: 1109.14742
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)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-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[K+].[K+]
Structure:
CAS RN: 67801-75-6
CAS Name: ammonium; buta-1,3-diene; (E)-4-hydroxy-4-oxo-2-butenoate; styrene
OPENEYE Name: ammonium; buta-1,3-diene; (E)-4-hydroxy-4-oxo-but-2-enoate; styrene
IUPAC Name: azanium; buta-1,3-diene; (E)-4-hydroxy-4-oxobut-2-enoate; styrene
SYSTEMATIC NAME: azanium; buta-1,3-diene; ethenylbenzene; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: C=CC=C.C=CC1=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)O.[NH4+]
Structure:
CAS RN: 67785-62-0
CAS Name: (Z)-2-butenedioic acid; 2-methyl-2-propenoic acid; 2-propenoic acid
OPENEYE Name: acrylic acid; maleic acid; 2-methylprop-2-enoic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-methylprop-2-enoic acid; prop-2-enoic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-methylprop-2-enoic acid; prop-2-enoic acid
MOLECULAR FORMULA: C11H14O8
MOLECULAR WEIGHT: 274.22406
SMILES: CC(=C)C(=O)O.C=CC(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 67762-65-6
CAS Name: 2-methyl-2-undecanamine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxoethyl)-3-eicosenoic acid
OPENEYE Name: (E)-6-(1,1-dimethyldecylamino)-2-(2-oxoethyl)icos-3-enoic acid; 2-methylundecan-2-amine
IUPAC Name: 2-methylundecan-2-amine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxoethyl)icos-3-enoic acid
SYSTEMATIC NAME: 2-methylundecan-2-amine; (E)-6-(2-methylundecan-2-ylamino)-2-(2-oxidanylideneethyl)icos-3-enoic acid
MOLECULAR FORMULA: C46H92N2O3
MOLECULAR WEIGHT: 721.23428
SMILES: CCCCCCCCCCCCCCC(C/C=C/C(CC=O)C(=O)O)NC(C)(C)CCCCCCCCC.CCCCCCCCCC(C)(C)N
Structure:
CAS RN: 67748-63-4
CAS Name: N-[(E)-2-(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate
OPENEYE Name: N-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)vinyl]-N-phenyl-acetamide; 4-methylbenzenesulfonate
IUPAC Name: N-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]-N-phenyl-ethanamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C30H28N2O4S2
MOLECULAR WEIGHT: 544.68432
SMILES: CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C/N(C4=CC=CC=C4)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
No comments:
Post a Comment