3,4-dimethyl-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Openeye Name: 3,4-dimethyl-5-(3-oxobenzofuran-6-yl)oxysulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[(3-oxo-6-benzofuranyl)oxysulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Traditional Name: 3-(3-ketocoumaran-6-yl)oxysulfonyl-4,5-dimethyl-benzoic acid Formula: C17H14O7S MolecularWeight: 362.35386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)CO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)CO3)C

InChI

InChI=1S/C17H14O7S/c1-9-5-11(17(19)20)6-16(10(9)2)25(21,22)24-12-3-4-13-14(18)8-23-15(13)7-12/h3-7H,8H2,1-2H3,(H,19,20)