3-[4-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-(3-oxobenzofuran-6-yl)oxysulfonylphenyl]propanoic acid CAS Name: 3-[4-[(3-oxo-6-benzofuranyl)oxysulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-(3-ketocoumaran-6-yl)oxysulfonylphenyl]propionic acid Formula: C17H14O7S MolecularWeight: 362.35386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H14O7S/c18-15-10-23-16-9-12(4-7-14(15)16)24-25(21,22)13-5-1-11(2-6-13)3-8-17(19)20/h1-2,4-7,9H,3,8,10H2,(H,19,20)