[4-acetyloxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate Openeye Name: [4-acetoxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-acetyloxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-3,6-diketo-2-methyl-5-[(E)-nonadec-14-enyl]cyclohexa-1,4-dien-1-yl] ester Formula: C30H46O6 MolecularWeight: 502.68264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC(=O)C)C)OC(=O)C

Isomeric SMILES

CCCC/C=C/CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC(=O)C)C)OC(=O)C

InChI

InChI=1S/C30H46O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-28(34)29(35-24(3)31)23(2)27(33)30(26)36-25(4)32/h8-9H,5-7,10-22H2,1-4H3/b9-8+