4-[(1Z,4E)-2-methyl-3-oxidanyl-dodeca-1,4-dienyl]-6-oxidanyl-2,3-dihydroinden-1-one

Systemtic Name: 4-[(1Z,4E)-2-methyl-3-oxidanyl-dodeca-1,4-dienyl]-6-oxidanyl-2,3-dihydroinden-1-one Openeye Name: 6-hydroxy-4-[(1Z,4E)-3-hydroxy-2-methyl-dodeca-1,4-dienyl]indan-1-one CAS Name: 6-hydroxy-4-[(1Z,4E)-3-hydroxy-2-methyldodeca-1,4-dienyl]-2,3-dihydroinden-1-one IUPAC Name: 6-hydroxy-4-[(1Z,4E)-3-hydroxy-2-methyldodeca-1,4-dienyl]-2,3-dihydroinden-1-one Traditional Name: 6-hydroxy-4-[(1Z,4E)-3-hydroxy-2-methyl-dodeca-1,4-dienyl]indan-1-one Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CC(C(=CC1=C2CCC(=O)C2=CC(=C1)O)C)O

Isomeric SMILES

CCCCCCC/C=C/C(/C(=C\C1=C2CCC(=O)C2=CC(=C1)O)/C)O

InChI

InChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-10-21(24)16(2)13-17-14-18(23)15-20-19(17)11-12-22(20)25/h9-10,13-15,21,23-24H,3-8,11-12H2,1-2H3/b10-9+,16-13-