[3-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(Z)-(6-ethoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(Z)-(6-ethoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(Z)-(6-ethoxy-3-keto-coumaran-2-ylidene)methyl]phenyl] ester Formula: C24H20O6S MolecularWeight: 436.477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)O2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)/O2

InChI

InChI=1S/C24H20O6S/c1-3-28-18-9-12-21-22(15-18)29-23(24(21)25)14-17-5-4-6-19(13-17)30-31(26,27)20-10-7-16(2)8-11-20/h4-15H,3H2,1-2H3/b23-14-