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

Systemtic Name: [2-methyl-5-[(E)-nonadec-14-enyl]-4-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate Openeye Name: [4-hydroxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate CAS Name: acetic acid [4-hydroxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-hydroxy-2-methyl-5-[(E)-nonadec-14-enyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate Traditional Name: acetic acid [4-hydroxy-3,6-diketo-2-methyl-5-[(E)-nonadec-14-enyl]cyclohexa-1,4-dien-1-yl] ester Formula: C28H44O5 MolecularWeight: 460.64596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-26(31)25(30)22(2)28(27(24)32)33-23(3)29/h7-8,31H,4-6,9-21H2,1-3H3/b8-7+