3-[4-decoxy-3-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]carbonylbenzoic acid

Systemtic Name: 3-[4-decoxy-3-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]carbonylbenzoic acid Openeye Name: 3-[4-decoxy-3-(4-hydroxy-4-oxo-butyl)benzoyl]benzoic acid CAS Name: 3-[[4-decoxy-3-(4-hydroxy-4-oxobutyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-decoxy-3-(4-hydroxy-4-oxobutyl)benzoyl]benzoic acid Traditional Name: 3-[4-decoxy-3-(4-hydroxy-4-keto-butyl)benzoyl]benzoic acid Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C28H36O6/c1-2-3-4-5-6-7-8-9-18-34-25-17-16-23(19-21(25)12-11-15-26(29)30)27(31)22-13-10-14-24(20-22)28(32)33/h10,13-14,16-17,19-20H,2-9,11-12,15,18H2,1H3,(H,29,30)(H,32,33)