2-methyl-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid

Systemtic Name: 2-methyl-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Openeye Name: 2-methyl-5-(3-oxobenzofuran-6-yl)oxysulfonyl-benzoic acid CAS Name: 2-methyl-5-[(3-oxo-6-benzofuranyl)oxysulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Traditional Name: 5-(3-ketocoumaran-6-yl)oxysulfonyl-2-methyl-benzoic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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