4-methyl-3-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid

Systemtic Name: 4-methyl-3-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Openeye Name: 4-methyl-3-(3-oxobenzofuran-6-yl)oxysulfonyl-benzoic acid CAS Name: 4-methyl-3-[(3-oxo-6-benzofuranyl)oxysulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Traditional Name: 3-(3-ketocoumaran-6-yl)oxysulfonyl-4-methyl-benzoic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O7S/c1-9-2-3-10(16(18)19)6-15(9)24(20,21)23-11-4-5-12-13(17)8-22-14(12)7-11/h2-7H,8H2,1H3,(H,18,19)