[4-[(E)-3-octan-2-yloxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-acetyloxybenzoate

Systemtic Name: [4-[(E)-3-octan-2-yloxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-acetyloxybenzoate Openeye Name: [4-[(E)-3-(1-methylheptoxy)-3-oxo-prop-1-enyl]phenyl]methyl 4-acetoxybenzoate CAS Name: 4-acetyloxybenzoic acid [4-[(E)-3-octan-2-yloxy-3-oxoprop-1-enyl]phenyl]methyl ester IUPAC Name: [4-[(E)-3-octan-2-yloxy-3-oxoprop-1-enyl]phenyl]methyl 4-acetyloxybenzoate Traditional Name: 4-acetoxybenzoic acid [4-[(E)-3-keto-3-(1-methylheptoxy)prop-1-enyl]benzyl] ester Formula: C27H32O6 MolecularWeight: 452.53938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C=CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CCCCCCC(C)OC(=O)/C=C/C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C27H32O6/c1-4-5-6-7-8-20(2)32-26(29)18-13-22-9-11-23(12-10-22)19-31-27(30)24-14-16-25(17-15-24)33-21(3)28/h9-18,20H,4-8,19H2,1-3H3/b18-13+