ethyl 3-[2-[[2-[(E)-6-oxidanylhex-1-enyl]phenyl]methyl]-3-oxidanylidene-prop-2-enoyl]oxybenzoate

Systemtic Name: ethyl 3-[2-[[2-[(E)-6-oxidanylhex-1-enyl]phenyl]methyl]-3-oxidanylidene-prop-2-enoyl]oxybenzoate Openeye Name: ethyl 3-[2-[[2-[(E)-6-hydroxyhex-1-enyl]phenyl]methyl]-3-oxo-prop-2-enoyl]oxybenzoate CAS Name: 3-[2-[[2-[(E)-6-hydroxyhex-1-enyl]phenyl]methyl]-1,3-dioxoprop-2-enoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[[2-[(E)-6-hydroxyhex-1-enyl]phenyl]methyl]-3-oxoprop-2-enoyl]oxybenzoate Traditional Name: 3-[2-[2-[(E)-6-hydroxyhex-1-enyl]benzyl]-3-keto-acryloyl]oxybenzoic acid ethyl ester Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OC(=O)C(=C=O)CC2=CC=CC=C2C=CCCCCO

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC(=O)C(=C=O)CC2=CC=CC=C2/C=C/CCCCO

InChI

InChI=1S/C25H26O6/c1-2-30-24(28)21-13-9-14-23(17-21)31-25(29)22(18-27)16-20-12-7-6-11-19(20)10-5-3-4-8-15-26/h5-7,9-14,17,26H,2-4,8,15-16H2,1H3/b10-5+