CAS RN: 24529-88-2
CAS Name: (E)-9-octadecenoic acid [(2S)-3-hydroxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C39H72O5
MOLECULAR WEIGHT: 620.98598
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 85053-47-0
CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea; (Z)-2-butenedioic acid
OPENEYE Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-isopropyl-urea; maleic acid
IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[2-(diethylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea
MOLECULAR FORMULA: C22H35N3O7S
MOLECULAR WEIGHT: 485.5942
SMILES: CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 96436-73-6
CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea; (Z)-2-butenedioic acid
OPENEYE Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-isopropyl-urea; maleic acid
IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[2-(diethylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea
MOLECULAR FORMULA: C22H35N3O7S
MOLECULAR WEIGHT: 485.5942
SMILES: CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 95998-63-3
CAS Name: (E)-19-iodo-3-methyl-18-nonadecenoic acid
OPENEYE Name: (E)-19-iodo-3-methyl-nonadec-18-enoic acid
IUPAC Name: (E)-19-iodo-3-methylnonadec-18-enoic acid
SYSTEMATIC NAME: (E)-19-iodanyl-3-methyl-nonadec-18-enoic acid
MOLECULAR FORMULA: C20H37IO2
MOLECULAR WEIGHT: 436.41105
SMILES: CC(CCCCCCCCCCCCCC/C=C/I)CC(=O)O
Structure:
CAS RN: 39025-24-6
CAS Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
OPENEYE Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
IUPAC Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C/C=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Structure:
CAS RN: 95975-55-6
CAS Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
OPENEYE Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
IUPAC Name: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C/C=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Structure:
CAS RN: 95851-21-1
CAS Name: (5S,6E,8Z,10E,12E,14S,15S,17Z)-5,14,15-trihydroxyeicosa-6,8,10,12,17-pentaenoic acid
OPENEYE Name: (5S,6E,8Z,10E,12E,14S,15S,17Z)-5,14,15-trihydroxyicosa-6,8,10,12,17-pentaenoic acid
IUPAC Name: (5S,6E,8Z,10E,12E,14S,15S,17Z)-5,14,15-trihydroxyicosa-6,8,10,12,17-pentaenoic acid
SYSTEMATIC NAME: (5S,6E,8Z,10E,12E,14S,15S,17Z)-5,14,15-tris(oxidanyl)icosa-6,8,10,12,17-pentaenoic acid
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: CC/C=C\C[C@@H]([C@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O
Structure:
CAS RN: 95851-20-0
CAS Name: (5S,6S,7E,9E,11Z,13Z,15S,17Z)-5,6,15-trihydroxyeicosa-7,9,11,13,17-pentaenoic acid
OPENEYE Name: (5S,6S,7E,9E,11Z,13Z,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
IUPAC Name: (5S,6S,7E,9E,11Z,13Z,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
SYSTEMATIC NAME: (5S,6S,7E,9E,11Z,13Z,15S,17Z)-5,6,15-tris(oxidanyl)icosa-7,9,11,13,17-pentaenoic acid
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: CC/C=C\C[C@@H](/C=C\C=C/C=C/C=C/[C@@H]([C@H](CCCC(=O)O)O)O)O
Structure:
CAS RN: 94885-04-8
CAS Name: [(E,2S,3R)-3-hydroxy-2-[[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexyl]amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(E,2S,3R)-3-hydroxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(E,2S,3R)-3-hydroxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(E,2S,3R)-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C35H61N6O9P
MOLECULAR WEIGHT: 740.867401
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
Structure:
CAS RN: 23930-02-1
CAS Name: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
IUPAC Name: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C21H22O4
MOLECULAR WEIGHT: 338.39698
SMILES: CC(=CCC/C(=C/COC1=CC(=O)OC2=C1C=C3C=COC3=C2)/C)C
Structure:
CAS RN: 23784-26-1
CAS Name: N-[2-hydroxy-4-[(E)-2-phenylethenyl]phenyl]acetamide
OPENEYE Name: N-[2-hydroxy-4-[(E)-styryl]phenyl]acetamide
IUPAC Name: N-[2-hydroxy-4-[(E)-2-phenylethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-oxidanyl-4-[(E)-2-phenylethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CC(=O)NC1=C(C=C(C=C1)/C=C/C2=CC=CC=C2)O
Structure:
CAS RN: 94474-69-8
CAS Name: 5-[(E)-1-hydroxybut-2-enyl]-4-methoxy-6-methyl-2-pyranone
OPENEYE Name: 5-[(E)-1-hydroxybut-2-enyl]-4-methoxy-6-methyl-pyran-2-one
IUPAC Name: 5-[(E)-1-hydroxybut-2-enyl]-4-methoxy-6-methylpyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-methyl-5-[(E)-1-oxidanylbut-2-enyl]pyran-2-one
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: C/C=C/C(C1=C(OC(=O)C=C1OC)C)O
Structure:
CAS RN: 93620-54-3
CAS Name: 6-(2-anthracenyl)-N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]hexanamide
OPENEYE Name: 6-(2-anthryl)-N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]hexanamide
IUPAC Name: 6-anthracen-2-yl-N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexanamide
SYSTEMATIC NAME: 6-anthracen-2-yl-N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]hexanamide
MOLECULAR FORMULA: C44H65NO8
MOLECULAR WEIGHT: 735.9888
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCC2=CC3=CC4=CC=CC=C4C=C3C=C2)O
Structure:
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