[3-acetyloxy-2-[(2R,3R)-1,6-bis(oxidanylidene)-3-prop-1-en-2-yl-heptan-2-yl]-5-pentyl-phenyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[(2R,3R)-1,6-bis(oxidanylidene)-3-prop-1-en-2-yl-heptan-2-yl]-5-pentyl-phenyl] ethanoate Openeye Name: [3-acetoxy-2-[(1R,2R)-1-formyl-2-isopropenyl-5-oxo-hexyl]-5-pentyl-phenyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[(2R,3R)-3-(1-methylethenyl)-1,6-dioxoheptan-2-yl]-5-pentylphenyl] ester IUPAC Name: [3-acetyloxy-2-[(2R,3R)-1,6-dioxo-3-prop-1-en-2-ylheptan-2-yl]-5-pentylphenyl] acetate Traditional Name: acetic acid [3-acetoxy-5-amyl-2-[(1R,2R)-1-formyl-2-(3-ketobutyl)-3-methyl-but-3-enyl]phenyl] ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C(C=O)C(CCC(=O)C)C(=C)C)OC(=O)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C)[C@H](C=O)[C@@H](CCC(=O)C)C(=C)C)OC(=O)C

InChI

InChI=1S/C25H34O6/c1-7-8-9-10-20-13-23(30-18(5)28)25(24(14-20)31-19(6)29)22(15-26)21(16(2)3)12-11-17(4)27/h13-15,21-22H,2,7-12H2,1,3-6H3/t21-,22+/m0/s1