1,7-bis(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-heptane-3-sulfonic acid

Systemtic Name: 1,7-bis(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-heptane-3-sulfonic acid Openeye Name: 1,7-bis(4-hydroxy-3-methoxy-phenyl)-5-oxo-heptane-3-sulfonic acid CAS Name: 1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxo-3-heptanesulfonic acid IUPAC Name: 1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid Traditional Name: 1,7-bis(4-hydroxy-3-methoxy-phenyl)-5-keto-heptane-3-sulfonic acid Formula: C21H26O8S MolecularWeight: 438.49134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)S(=O)(=O)O)O

InChI

InChI=1S/C21H26O8S/c1-28-20-11-14(5-9-18(20)23)3-7-16(22)13-17(30(25,26)27)8-4-15-6-10-19(24)21(12-15)29-2/h5-6,9-12,17,23-24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)