[8-methanoyl-5-methoxy-2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-3,4-dihydrochromen-7-yl] (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: [8-methanoyl-5-methoxy-2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-3,4-dihydrochromen-7-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-pent-3-enyl)chroman-7-yl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydro-2H-1-benzopyran-7-yl] ester IUPAC Name: [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl] (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [8-formyl-2-(2-keto-4-methyl-pent-3-enyl)-5-methoxy-2-methyl-chroman-7-yl] ester Formula: C36H52O6 MolecularWeight: 580.79448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC

InChI

InChI=1S/C36H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(39)41-33-25-32(40-5)30-22-23-36(4,26-29(38)24-28(2)3)42-35(30)31(33)27-37/h10-11,13-14,24-25,27H,6-9,12,15-23,26H2,1-5H3/b11-10-,14-13-