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

Systemtic Name: [2-[(Z)-(6-methoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-(6-methoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-(6-methoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-(3-keto-6-methoxy-coumaran-2-ylidene)methyl]phenyl] ester Formula: C23H18O6S MolecularWeight: 422.45042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)C4=C(O3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OC

InChI

InChI=1S/C23H18O6S/c1-15-7-10-18(11-8-15)30(25,26)29-20-6-4-3-5-16(20)13-22-23(24)19-12-9-17(27-2)14-21(19)28-22/h3-14H,1-2H3/b22-13-