2-methoxy-5-[(E)-3-oxidanylidene-3-(4-sulfophenyl)prop-1-enyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[(E)-3-oxidanylidene-3-(4-sulfophenyl)prop-1-enyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(E)-3-oxo-3-(4-sulfophenyl)prop-1-enyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(E)-3-oxo-3-(4-sulfophenyl)prop-1-enyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(E)-3-oxo-3-(4-sulfophenyl)prop-1-enyl]benzenesulfonic acid Traditional Name: 5-[(E)-3-keto-3-(4-sulfophenyl)prop-1-enyl]-2-methoxy-besylic acid Formula: C16H14O8S2 MolecularWeight: 398.40756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H14O8S2/c1-24-15-9-3-11(10-16(15)26(21,22)23)2-8-14(17)12-4-6-13(7-5-12)25(18,19)20/h2-10H,1H3,(H,18,19,20)(H,21,22,23)/b8-2+