[3-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-but-3-enoxybenzoate

Systemtic Name: [3-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-but-3-enoxybenzoate Openeye Name: [3-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 4-but-3-enoxybenzoate CAS Name: 4-but-3-enoxybenzoic acid [3-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-but-3-enoxybenzoate Traditional Name: 4-but-3-enoxybenzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-3-methoxy-phenyl] ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCC=C)C=CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCC=C)/C=C/C(=O)OC

InChI

InChI=1S/C22H22O6/c1-4-5-14-27-18-10-7-17(8-11-18)22(24)28-19-12-6-16(20(15-19)25-2)9-13-21(23)26-3/h4,6-13,15H,1,5,14H2,2-3H3/b13-9+