CAS RN: 87244-42-6
CAS Name: 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
OPENEYE Name: 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)vinyl]phenyl]phenyl]vinyl]-1,4-dimethyl-benzene
IUPAC Name: 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
SYSTEMATIC NAME: 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethyl-benzene
MOLECULAR FORMULA: C32H30
MOLECULAR WEIGHT: 414.5806
SMILES: CC1=CC(=C(C=C1)C)/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=C(C=CC(=C4)C)C
Structure:
CAS RN: 72786-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31ClN2O6
MOLECULAR WEIGHT: 490.97644
SMILES: COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2(C3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl
Structure:
CAS RN: 72785-16-1
CAS Name: (8Z)-1-cyclopentadec-8-enone
OPENEYE Name: (8Z)-cyclopentadec-8-en-1-one
IUPAC Name: (8Z)-cyclopentadec-8-en-1-one
SYSTEMATIC NAME: (8Z)-cyclopentadec-8-en-1-one
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C1CCCC(=O)CCCCCC/C=C\CC1
Structure:
CAS RN: 72785-14-9
CAS Name: (5E)-3-methyl-1-cyclohexadec-5-enone
OPENEYE Name: (5E)-3-methylcyclohexadec-5-en-1-one
IUPAC Name: (5E)-3-methylcyclohexadec-5-en-1-one
SYSTEMATIC NAME: (5E)-3-methylcyclohexadec-5-en-1-one
MOLECULAR FORMULA: C17H30O
MOLECULAR WEIGHT: 250.4195
SMILES: CC1C/C=C/CCCCCCCCCCC(=O)C1
Structure:
CAS RN: 72782-06-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O6
MOLECULAR WEIGHT: 414.45164
SMILES: CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)O)NC(=O)/C=C/C(=O)OC
Structure:
CAS RN: 72727-71-0
CAS Name: (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)-4-pentenoic acid butyl ester
OPENEYE Name: butyl (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
IUPAC Name: butyl (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
SYSTEMATIC NAME: butyl (E)-3-methyl-3-oxidanyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CCCCOC(=O)CC(C)(/C=C/C1C(=CCCC1(C)C)C)O
Structure:
CAS RN: 72727-67-4
CAS Name: (E)-4-(3-bicyclo[2.2.1]heptanyl)-3-methyl-3-buten-2-one
OPENEYE Name: (E)-3-methyl-4-norbornan-2-yl-but-3-en-2-one
IUPAC Name: (E)-4-(3-bicyclo[2.2.1]heptanyl)-3-methylbut-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3-bicyclo[2.2.1]heptanyl)-3-methyl-but-3-en-2-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: C/C(=C\C1CC2CCC1C2)/C(=O)C
Structure:
CAS RN: 72615-18-0
CAS Name: (5R,6R)-3-[[(E)-2-acetamidoethenyl]thio]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-3-[(E)-2-acetamidovinyl]sulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-3-[(E)-2-acetamidoethenyl]sulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-3-[(E)-2-acetamidoethenyl]sulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H16N2O4S
MOLECULAR WEIGHT: 296.34214
SMILES: CC[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C
Structure:
CAS RN: 72535-39-8
CAS Name: (E)-9-octadecenoic acid [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxo-1-(1-pyrenylmethoxy)propan-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,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-methyl-2-oxo-2-(pyren-1-ylmethoxy)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxo-1-(pyren-1-ylmethoxy)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxidanylidene-1-(pyren-1-ylmethoxy)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C57H76O4
MOLECULAR WEIGHT: 825.21094
SMILES: CCCCCCCC/C=C/CCCCCCCC(=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)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C
Structure:
CAS RN: 72505-71-6
CAS Name: (2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoic acid ethyl ester
OPENEYE Name: ethyl (2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoate
IUPAC Name: ethyl (2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoate
SYSTEMATIC NAME: ethyl (2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoate
MOLECULAR FORMULA: C52H84O2
MOLECULAR WEIGHT: 741.22216
SMILES: CCOC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 72429-10-8
CAS Name: 2-(butoxymethyl)oxirane; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: 2-(butoxymethyl)oxirane; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-(butoxymethyl)oxirane; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 2-(butoxymethyl)oxirane; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C61H99ClO9
MOLECULAR WEIGHT: 1011.88636
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCOCC1OC1.CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C.C1OC1CCl
Structure:
CAS RN: 72361-42-3
CAS Name: (E,4E)-4-(3,5-dimethyl-1,3,4-oxadiazol-2-ylidene)-2-[1-pyrrolidinyl(sulfanylidene)methyl]-2-butenenitrile
OPENEYE Name: (E,4E)-4-(3,5-dimethyl-1,3,4-oxadiazol-2-ylidene)-2-(pyrrolidine-1-carbothioyl)but-2-enenitrile
IUPAC Name: (E,4E)-4-(3,5-dimethyl-1,3,4-oxadiazol-2-ylidene)-2-(pyrrolidine-1-carbothioyl)but-2-enenitrile
SYSTEMATIC NAME: (E,4E)-4-(3,5-dimethyl-1,3,4-oxadiazol-2-ylidene)-2-pyrrolidin-1-ylcarbothioyl-but-2-enenitrile
MOLECULAR FORMULA: C13H16N4OS
MOLECULAR WEIGHT: 276.35734
SMILES: CC1=NN(/C(=C\C=C(/C#N)\C(=S)N2CCCC2)/O1)C
Structure:
CAS RN: 72333-18-7
CAS Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-1-propanesulfonate
OPENEYE Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate
IUPAC Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate
MOLECULAR FORMULA: C25H48N2O5S
MOLECULAR WEIGHT: 488.72402
SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O
Structure:
CAS RN: 72283-35-3
CAS Name: 1-decanol; 2-methyloxirane; (Z)-9-octadecenoic acid; oxirane
OPENEYE Name: decan-1-ol; 2-methyloxirane; (Z)-octadec-9-enoic acid; oxirane
IUPAC Name: decan-1-ol; 2-methyloxirane; (Z)-octadec-9-enoic acid; oxirane
SYSTEMATIC NAME: decan-1-ol; 2-methyloxirane; (Z)-octadec-9-enoic acid; oxirane
MOLECULAR FORMULA: C33H66O5
MOLECULAR WEIGHT: 542.87414
SMILES: CCCCCCCCCCO.CCCCCCCC/C=C\CCCCCCCC(=O)O.CC1CO1.C1CO1
Structure:
CAS RN: 72252-45-0
CAS Name: N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate
OPENEYE Name: N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate
IUPAC Name: N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
SYSTEMATIC NAME: N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate
MOLECULAR FORMULA: C24H29ClN2O2
MOLECULAR WEIGHT: 412.95226
SMILES: CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C
Structure:
CAS RN: 72252-43-8
CAS Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate
OPENEYE Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate
IUPAC Name: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
SYSTEMATIC NAME: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate
MOLECULAR FORMULA: C23H28N2O3
MOLECULAR WEIGHT: 380.48002
SMILES: CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-]
Structure:
CAS RN: 72245-61-5
CAS Name: disodium 5-amino-2-[(E)-2-[4-[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]azo-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-amino-2-[(E)-2-[4-[1-[(2-methoxyphenyl)carbamoyl]-2-oxo-propyl]azo-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-amino-2-[(E)-2-[4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-azanyl-2-[(E)-2-[4-[[1-[(2-methoxyphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C25H22N4Na2O9S2
MOLECULAR WEIGHT: 632.57312
SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 72214-25-6
CAS Name: dihydrogen phosphate; N,N-dimethyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline
OPENEYE Name: dihydrogen phosphate; N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline
IUPAC Name: dihydrogen phosphate; N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
SYSTEMATIC NAME: dihydrogen phosphate; N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
MOLECULAR FORMULA: C21H27N2O4P
MOLECULAR WEIGHT: 402.423841
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)C)C)C.OP(=O)(O)[O-]
Structure:
CAS RN: 72208-34-5
CAS Name: N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline; dihydrogen phosphate
OPENEYE Name: N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline; dihydrogen phosphate
IUPAC Name: N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline; dihydrogen phosphate
SYSTEMATIC NAME: N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline; dihydrogen phosphate
MOLECULAR FORMULA: C24H33N2O4P
MOLECULAR WEIGHT: 444.503581
SMILES: CCN(CC)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.OP(=O)(O)[O-]
Structure:
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