CAS RN: 51953-95-8
CAS Name: 7-[(1R)-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R)-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R)-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R)-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: CCCCCC(C)(/C=C/C1CCC(=O)[C@@H]1CCCCCCC(=O)O)O
Structure:
CAS RN: 40027-38-1
CAS Name: (Z)-9-octadecenoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
OPENEYE Name: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
IUPAC Name: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
MOLECULAR FORMULA: C39H78N2O2
MOLECULAR WEIGHT: 607.04882
SMILES: CCCCCCCC/C=C\CCCCCCCCNCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 54174-02-6
CAS Name: (Z)-9-octadecenoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
OPENEYE Name: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
IUPAC Name: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
MOLECULAR FORMULA: C39H78N2O2
MOLECULAR WEIGHT: 607.04882
SMILES: CCCCCCCC/C=C\CCCCCCCCNCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 39936-45-3
CAS Name: (Z)-2-butenedioic acid bis(2-ethylhexyl) ester; N-ethenyl-N-methylacetamide
OPENEYE Name: bis(2-ethylhexyl) (Z)-but-2-enedioate; N-methyl-N-vinyl-acetamide
IUPAC Name: bis(2-ethylhexyl) (Z)-but-2-enedioate; N-ethenyl-N-methylacetamide
SYSTEMATIC NAME: bis(2-ethylhexyl) (Z)-but-2-enedioate; N-ethenyl-N-methyl-ethanamide
MOLECULAR FORMULA: C25H45NO5
MOLECULAR WEIGHT: 439.6285
SMILES: CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC.CC(=O)N(C)C=C
Structure:
CAS RN: 39874-62-9
CAS Name: (Z)-9-octadecenoic acid [2-(hydroxymethyl)-3-[(E)-1-oxooctadec-9-enoxy]-2-[[(E)-1-oxooctadec-9-enoxy]methyl]propyl] ester
OPENEYE Name: [2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
IUPAC Name: [2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C59H108O7
MOLECULAR WEIGHT: 929.48462
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)CO
Structure:
CAS RN: 39818-09-2
CAS Name: (E)-3-phenyl-2-propenoic acid [(7R,8R)-7-[(E)-1-oxo-3-phenylprop-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate
IUPAC Name: [(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(7R,8R)-7-[(E)-3-phenylprop-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: C1CN2CC=C([C@@H]2[C@@H]1OC(=O)/C=C/C3=CC=CC=C3)COC(=O)/C=C/C4=CC=CC=C4
Structure:
CAS RN: 39746-23-1
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 39640-14-7
CAS Name: (E)-2-butenedioic acid; [4-(phenylmethyl)-1-piperazinyl]-(2-pyridinyl)methanone
OPENEYE Name: (4-benzylpiperazin-1-yl)-(2-pyridyl)methanone; fumaric acid
IUPAC Name: (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [4-(phenylmethyl)piperazin-1-yl]-pyridin-2-yl-methanone
MOLECULAR FORMULA: C21H23N3O5
MOLECULAR WEIGHT: 397.42442
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 70062-37-2
CAS Name: (E)-2-butenedioic acid; [4-(phenylmethyl)-1-piperazinyl]-(2-pyridinyl)methanone
OPENEYE Name: (4-benzylpiperazin-1-yl)-(2-pyridyl)methanone; fumaric acid
IUPAC Name: (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [4-(phenylmethyl)piperazin-1-yl]-pyridin-2-yl-methanone
MOLECULAR FORMULA: C21H23N3O5
MOLECULAR WEIGHT: 397.42442
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39377-42-9
CAS Name: N-methylcarbamic acid 1-naphthalenyl ester; phosphoric acid [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate; 1-naphthyl N-methylcarbamate
IUPAC Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; naphthalen-1-yl N-methylcarbamate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; naphthalen-1-yl N-methylcarbamate
MOLECULAR FORMULA: C24H25Cl3NO6P
MOLECULAR WEIGHT: 560.791161
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl.CNC(=O)OC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 39245-23-3
CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine dihydrochloride
OPENEYE Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(E)-cinnamyl]piperazine dihydrochloride
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine dihydrochloride
MOLECULAR FORMULA: C26H29Cl3N2
MOLECULAR WEIGHT: 475.88086
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
Structure:
CAS RN: 39084-19-0
CAS Name: 2-[[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]-1-oxopropyl]amino]ethanesulfonic ac
OPENEYE Name: 2-[3-[4-methyl-2-[[4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
IUPAC Name: 2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propa
MOLECULAR FORMULA: C37H46N6O10S2
MOLECULAR WEIGHT: 798.92534
SMILES: CC1=C(C(N=C1/C=C/2\C(=C(C(=O)N2)C)C=C)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O
Structure:
CAS RN: 39051-50-8
CAS Name: (3E)-3-(2-chloro-11-benzo[c][1]benzazepinylidene)-N,N-dimethyl-1-propanamine
OPENEYE Name: (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethyl-propan-1-amine
IUPAC Name: (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (3E)-3-(2-chloranylbenzo[c][1]benzazepin-11-ylidene)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H19ClN2
MOLECULAR WEIGHT: 310.82056
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2C=NC3=C1C=C(C=C3)Cl
Structure:
CAS RN: 39011-86-4
CAS Name: 4-[(Z)-4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
OPENEYE Name: 4-[(Z)-1-ethyl-2-(4-hydroxyphenyl)but-2-enyl]phenol
IUPAC Name: 4-[(Z)-4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
SYSTEMATIC NAME: 4-[(Z)-4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CCC(C1=CC=C(C=C1)O)/C(=C/C)/C2=CC=C(C=C2)O
Structure:
CAS RN: 38684-16-1
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid butyl ester; (2E,7E)-2,4,8-trimethylnona-2,7-dienedioic acid
OPENEYE Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; (2E,7E)-2,4,8-trimethylnona-2,7-dienedioic acid
IUPAC Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; (2E,7E)-2,4,8-trimethylnona-2,7-dienedioic acid
SYSTEMATIC NAME: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; (2E,7E)-2,4,8-trimethylnona-2,7-dienedioic acid
MOLECULAR FORMULA: C28H44O10
MOLECULAR WEIGHT: 540.64296
SMILES: CCCCOC(=O)C=C.CC(CC/C=C(\C)/C(=O)O)/C=C(\C)/C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC
Structure:
CAS RN: 38618-12-1
CAS Name: 1-(2-hydroxypropylamino)-2-propanol; (Z)-9-octadecenoic acid
OPENEYE Name: 1-(2-hydroxypropylamino)propan-2-ol; (Z)-octadec-9-enoic acid
IUPAC Name: 1-(2-hydroxypropylamino)propan-2-ol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid; 1-(2-oxidanylpropylamino)propan-2-ol
MOLECULAR FORMULA: C24H49NO4
MOLECULAR WEIGHT: 415.65016
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(CNCC(C)O)O
Structure:
CAS RN: 38561-40-9
CAS Name: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
OPENEYE Name: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]benzaldehyde
IUPAC Name: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
SYSTEMATIC NAME: 3-chloranyl-4-methoxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxidanylidene-cyclohexyl]penta-2,4-dienyl]-6-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C24H31ClO4
MOLECULAR WEIGHT: 418.95354
SMILES: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OC)Cl)C)C=O)O)/C)C
Structure:
CAS RN: 38456-36-9
CAS Name: (Z)-2-(acetyloxymethyl)-2-butenoic acid [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetoxymethyl)but-2-enoate
IUPAC Name: [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6Z,8S,10Z,11aR)-6,10-dimethyl-3-methylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: C/C=C(/COC(=O)C)\C(=O)O[C@@H]1C/C(=C\[C@H](C/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C
Structure:
CAS RN: 38363-23-4
CAS Name: acetic acid [(E)-dodec-2-enyl] ester
OPENEYE Name: [(E)-dodec-2-enyl] acetate
IUPAC Name: [(E)-dodec-2-enyl] acetate
SYSTEMATIC NAME: [(E)-dodec-2-enyl] ethanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCCCCCCC/C=C/COC(=O)C
Structure:
CAS RN: 38344-08-0
CAS Name: (Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3S,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: C1[C@@H]([C@@H]([C@H]([C@H]1O)/C=C/C(CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 38284-42-3
CAS Name: (E)-3-(5-bicyclo[2.2.1]hept-2-enyl)-2-methyl-2-propenal
OPENEYE Name: (E)-3-(5-bicyclo[2.2.1]hept-2-enyl)-2-methyl-prop-2-enal
IUPAC Name: (E)-3-(5-bicyclo[2.2.1]hept-2-enyl)-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-3-(5-bicyclo[2.2.1]hept-2-enyl)-2-methyl-prop-2-enal
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: C/C(=C\C1CC2CC1C=C2)/C=O
Structure:
CAS RN: 37966-23-7
CAS Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-butanesulfonate
OPENEYE Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
MOLECULAR FORMULA: C32H45N3O6S4
MOLECULAR WEIGHT: 695.9762
SMILES: CCN(CC)CC.C/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCCS(=O)(=O)[O-])/C=C/3\N(C4=CC=CC=C4S3)CCCCS(=O)(=O)O
Structure:
CAS RN: 65184-26-1
CAS Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-butanesulfonate
OPENEYE Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 4-[2-[(E,3E)-2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
MOLECULAR FORMULA: C32H45N3O6S4
MOLECULAR WEIGHT: 695.9762
SMILES: CCN(CC)CC.C/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCCS(=O)(=O)[O-])/C=C/3\N(C4=CC=CC=C4S3)CCCCS(=O)(=O)O
Structure:
CAS RN: 37916-03-3
CAS Name: (E)-2,5-dimethyl-2-hexenoic acid; 2-methyl-2-propenoic acid
OPENEYE Name: (E)-2,5-dimethylhex-2-enoic acid; 2-methylprop-2-enoic acid
IUPAC Name: (E)-2,5-dimethylhex-2-enoic acid; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2,5-dimethylhex-2-enoic acid; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CC(C)C/C=C(\C)/C(=O)O.CC(=C)C(=O)O
Structure:
CAS RN: 37809-64-6
CAS Name: [(E)-2-cyanoethenyl]ammonium; 2-propenoic acid
OPENEYE Name: acrylic acid; [(E)-2-cyanovinyl]ammonium
IUPAC Name: [(E)-2-cyanoethenyl]azanium; prop-2-enoic acid
SYSTEMATIC NAME: [(E)-2-cyanoethenyl]azanium; prop-2-enoic acid
MOLECULAR FORMULA: C6H9N2O2+
MOLECULAR WEIGHT: 141.14786
SMILES: C=CC(=O)O.C(=C/[NH3+])\C#N
Structure:
CAS RN: 37780-79-3
CAS Name: 4-[(E)-2-(2-benzofuranyl)ethenyl]benzonitrile
OPENEYE Name: 4-[(E)-2-(benzofuran-2-yl)vinyl]benzonitrile
IUPAC Name: 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]benzonitrile
SYSTEMATIC NAME: 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H11NO
MOLECULAR WEIGHT: 245.27534
SMILES: C1=CC=C2C(=C1)C=C(O2)/C=C/C3=CC=C(C=C3)C#N
Structure:
CAS RN: 37599-16-9
CAS Name: (Z)-9-octadecenoic acid 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-yl ester
OPENEYE Name: [2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]-1-methyl-ethyl] (Z)-octadec-9-enoate
IUPAC Name: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-yl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 1-[2-[bis(2-oxidanylpropyl)amino]ethyl-(2-oxidanylpropyl)amino]propan-2-yl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C32H64N2O5
MOLECULAR WEIGHT: 556.86096
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)O
Structure:
CAS RN: 68473-91-6
CAS Name: (Z)-9-octadecenoic acid 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-yl ester
OPENEYE Name: [2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]-1-methyl-ethyl] (Z)-octadec-9-enoate
IUPAC Name: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-yl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 1-[2-[bis(2-oxidanylpropyl)amino]ethyl-(2-oxidanylpropyl)amino]propan-2-yl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C32H64N2O5
MOLECULAR WEIGHT: 556.86096
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)O
Structure:
CAS RN: 37515-76-7
CAS Name: tetrasodium 5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfo
MOLECULAR FORMULA: C42H38N14Na4O14S4
MOLECULAR WEIGHT: 1183.0556
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCC#N)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(CCC#N)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 37305-78-5
CAS Name: (E)-3-[4-[[(5Z)-3,4-dihydroxy-5-[2-[(3-hydroxy-4,5-dimethoxy-6-methyl-2-oxanyl)oxy]-1-methoxyethylidene]-2-oxolanyl]oxy]phenyl]-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-2-methyl-2-propenamide
OPENEYE Name: (E)-3-[4-[(5Z)-3,4-dihydroxy-5-[2-(3-hydroxy-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxy-1-methoxy-ethylidene]tetrahydrofuran-2-yl]oxyphenyl]-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-2-methyl-prop-2-enamide
IUPAC Name: (E)-3-[4-[(5Z)-3,4-dihydroxy-5-[2-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-1-methoxyethylidene]oxolan-2-yl]oxyphenyl]-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[(5Z)-5-[2-(4,5-dimethoxy-6-methyl-3-oxidanyl-oxan-2-yl)oxy-1-methoxy-ethylidene]-3,4-bis(oxidanyl)oxolan-2-yl]oxyphenyl]-N-[5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-methyl-prop-2-enamide
MOLECULAR FORMULA: C37H50N6O14
MOLECULAR WEIGHT: 802.8247
SMILES: CC1C(C(C(C(O1)OC/C(=C/2\C(C(C(O2)OC3=CC=C(C=C3)/C=C(\C)/C(=O)NC4C(OC(C4O)N5C=NC6=C5N=CN=C6N(C)C)CO)O)O)/OC)O)OC)OC
Structure:
CAS RN: 154356-84-0
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-8-hydroxy-8-methylnon-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-7-hydroxy-1,7-dimethyl-oct-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-8-hydroxy-8-methylnon-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-8-methyl-8-oxidanyl-non-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46O3
MOLECULAR WEIGHT: 442.67374
SMILES: CC(/C=C/CCCC(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 37138-26-4
CAS Name: tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H20Cl2N10Na4O12S4
MOLECULAR WEIGHT: 1027.68608
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)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-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 37138-25-3
CAS Name: tetrasodium 5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-chloranyl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloranyl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H20Cl2N10Na4O12S4
MOLECULAR WEIGHT: 1027.68608
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 37138-23-1
CAS Name: disodium 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H22Cl2N10Na2O6S2
MOLECULAR WEIGHT: 823.59602
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 36755-19-8
CAS Name: 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethyl-1-cyclohexenyl]-1-piperazinecarboxylic acid ethyl ester perchlorate
OPENEYE Name: ethyl 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylate perchlorate
IUPAC Name: ethyl 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]piperazine-1-carboxylate perchlorate
SYSTEMATIC NAME: ethyl 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylate perchlorate
MOLECULAR FORMULA: C27H36ClN3O6S
MOLECULAR WEIGHT: 566.10924
SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/3\CC(CC(=C3)N4CCN(CC4)C(=O)OCC)(C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 36563-79-8
CAS Name: (Z)-2-butenedioic acid bis[[4-hydroxy-3,5,5-tris(1-oxooctadecoxymethyl)-3-oxanyl]methyl] ester
OPENEYE Name: bis[[4-hydroxy-3,5,5-tris(octadecanoyloxymethyl)tetrahydropyran-3-yl]methyl] (Z)-but-2-enedioate
IUPAC Name: bis[[4-hydroxy-3,5,5-tris(octadecanoyloxymethyl)oxan-3-yl]methyl] (Z)-but-2-enedioate
SYSTEMATIC NAME: bis[[3,5,5-tris(octadecanoyloxymethyl)-4-oxidanyl-oxan-3-yl]methyl] (Z)-but-2-enedioate
MOLECULAR FORMULA: C130H240O20
MOLECULAR WEIGHT: 2123.2846
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)/C=C\C(=O)OCC2(COCC(C2O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Structure:
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