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

Systemtic Name: 4-methoxy-3-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Openeye Name: 4-methoxy-3-(3-oxobenzofuran-6-yl)oxysulfonyl-benzoic acid CAS Name: 4-methoxy-3-[(3-oxo-6-benzofuranyl)oxysulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]benzoic acid Traditional Name: 3-(3-ketocoumaran-6-yl)oxysulfonyl-4-methoxy-benzoic acid Formula: C16H12O8S MolecularWeight: 364.32668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)CO3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)CO3

InChI

InChI=1S/C16H12O8S/c1-22-13-5-2-9(16(18)19)6-15(13)25(20,21)24-10-3-4-11-12(17)8-23-14(11)7-10/h2-7H,8H2,1H3,(H,18,19)