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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)C)C=C3C(=O)C4=C(O3)C=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)C)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OC

InChI

InChI=1S/C25H22O7S/c1-4-30-21-7-5-6-17(25(21)32-33(27,28)19-11-8-16(2)9-12-19)14-23-24(26)20-13-10-18(29-3)15-22(20)31-23/h5-15H,4H2,1-3H3/b23-14-