[2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate

Systemtic Name: [2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [2-(m-tolylmethylene)-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[(3-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-2-(3-methylbenzylidene)coumaran-6-yl] ester Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C17H14O5S/c1-11-4-3-5-12(8-11)9-16-17(18)14-7-6-13(10-15(14)21-16)22-23(2,19)20/h3-10H,1-2H3