5-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-2,4-bis(oxidanyl)benzenesulfonic acid

Systemtic Name: 5-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-2,4-bis(oxidanyl)benzenesulfonic acid Openeye Name: 2,4-dihydroxy-5-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]benzenesulfonic acid CAS Name: 2,4-dihydroxy-5-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]benzenesulfonic acid IUPAC Name: 2,4-dihydroxy-5-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]benzenesulfonic acid Traditional Name: 2,4-dihydroxy-5-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]besylic acid Formula: C16H16O8S MolecularWeight: 368.35844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=CC(=C(C=C2O)O)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=CC(=C(C=C2O)O)S(=O)(=O)O)O

InChI

InChI=1S/C16H16O8S/c1-24-15-5-3-9(6-13(15)19)2-4-11(17)10-7-16(25(21,22)23)14(20)8-12(10)18/h3,5-8,18-20H,2,4H2,1H3,(H,21,22,23)