[2-methoxy-4-[(E)-3-(5-methylfuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-(5-methylfuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-(5-methyl-2-furyl)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-(5-methyl-2-furanyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(5-methyl-2-furyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(O3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(O3)C)OC

InChI

InChI=1S/C22H20O6S/c1-15-4-9-18(10-5-15)29(24,25)28-21-13-8-17(14-22(21)26-3)7-11-19(23)20-12-6-16(2)27-20/h4-14H,1-3H3/b11-7+