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

Systemtic Name: (E)-3-[4-methoxy-3-[(3-oxidanylidene-1-benzofuran-6-yl)oxysulfonyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-(3-oxobenzofuran-6-yl)oxysulfonyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(3-oxo-6-benzofuranyl)oxysulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[(3-oxo-1-benzofuran-6-yl)oxysulfonyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-ketocoumaran-6-yl)oxysulfonyl-4-methoxy-phenyl]acrylic acid Formula: C18H14O8S MolecularWeight: 390.36396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14O8S/c1-24-15-6-2-11(3-7-18(20)21)8-17(15)27(22,23)26-12-4-5-13-14(19)10-25-16(13)9-12/h2-9H,10H2,1H3,(H,20,21)/b7-3+