2,4-dimethoxy-5-[(E)-3-(4-oxidanyl-3-sulfo-phenyl)prop-2-enoyl]benzenesulfonic acid

Systemtic Name: 2,4-dimethoxy-5-[(E)-3-(4-oxidanyl-3-sulfo-phenyl)prop-2-enoyl]benzenesulfonic acid Openeye Name: 5-[(E)-3-(4-hydroxy-3-sulfo-phenyl)prop-2-enoyl]-2,4-dimethoxy-benzenesulfonic acid CAS Name: 5-[(E)-3-(4-hydroxy-3-sulfophenyl)-1-oxoprop-2-enyl]-2,4-dimethoxybenzenesulfonic acid IUPAC Name: 5-[(E)-3-(4-hydroxy-3-sulfophenyl)prop-2-enoyl]-2,4-dimethoxybenzenesulfonic acid Traditional Name: 5-[(E)-3-(4-hydroxy-3-sulfo-phenyl)acryloyl]-2,4-dimethoxy-besylic acid Formula: C17H16O10S2 MolecularWeight: 444.43294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)C=CC2=CC(=C(C=C2)O)S(=O)(=O)O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)/C=C/C2=CC(=C(C=C2)O)S(=O)(=O)O)S(=O)(=O)O)OC

InChI

InChI=1S/C17H16O10S2/c1-26-14-9-15(27-2)17(29(23,24)25)8-11(14)12(18)5-3-10-4-6-13(19)16(7-10)28(20,21)22/h3-9,19H,1-2H3,(H,20,21,22)(H,23,24,25)/b5-3+