[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-7-methyl-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid (3-keto-7-methyl-2-piperonylidene-coumaran-6-yl) ester Formula: C18H14O7S MolecularWeight: 374.36456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OS(=O)(=O)C

InChI

InChI=1S/C18H14O7S/c1-10-13(25-26(2,20)21)6-4-12-17(19)16(24-18(10)12)8-11-3-5-14-15(7-11)23-9-22-14/h3-8H,9H2,1-2H3