(E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanylidene)hept-6-ene-1-sulfonic acid

Systemtic Name: (E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanylidene)hept-6-ene-1-sulfonic acid Openeye Name: (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)-3,5-dioxo-hept-6-ene-1-sulfonic acid CAS Name: (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-dioxo-6-heptene-1-sulfonic acid IUPAC Name: (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-dioxohept-6-ene-1-sulfonic acid Traditional Name: (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)-3,5-diketo-hept-6-ene-1-sulfonic acid Formula: C21H22O9S MolecularWeight: 450.45898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O9S/c1-29-19-9-13(4-7-17(19)24)3-6-15(22)11-16(23)12-21(31(26,27)28)14-5-8-18(25)20(10-14)30-2/h3-10,21,24-25H,11-12H2,1-2H3,(H,26,27,28)/b6-3+