(E)-3-[3,4-dimethoxy-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-(3-oxobenzofuran-6-yl)oxysulfonyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(3-oxo-6-benzofuranyl)oxysulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-ketocoumaran-6-yl)oxysulfonyl-4,5-dimethoxy-phenyl]acrylic acid Formula: C19H16O9S MolecularWeight: 420.38994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16O9S/c1-25-16-7-11(3-6-18(21)22)8-17(19(16)26-2)29(23,24)28-12-4-5-13-14(20)10-27-15(13)9-12/h3-9H,10H2,1-2H3,(H,21,22)/b6-3+