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

Systemtic Name: [4-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-(6-ethoxy-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-(6-ethoxy-3-oxo-2-benzofuranylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-(6-ethoxy-3-keto-coumaran-2-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C25H22O7S MolecularWeight: 466.50298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O7S/c1-4-30-18-8-11-20-22(15-18)31-24(25(20)26)14-17-7-12-21(23(13-17)29-3)32-33(27,28)19-9-5-16(2)6-10-19/h5-15H,4H2,1-3H3/b24-14-