3-[2-(3,4-dipentoxyphenyl)-6-(2-methylperoxy-2-oxidanylidene-ethyl)phenyl]benzoic acid

Systemtic Name: 3-[2-(3,4-dipentoxyphenyl)-6-(2-methylperoxy-2-oxidanylidene-ethyl)phenyl]benzoic acid Openeye Name: 3-[2-(3,4-dipentoxyphenyl)-6-(2-methylperoxy-2-oxo-ethyl)phenyl]benzoic acid CAS Name: 3-[2-(3,4-dipentoxyphenyl)-6-(2-methyldioxy-2-oxoethyl)phenyl]benzoic acid IUPAC Name: 3-[2-(3,4-dipentoxyphenyl)-6-(2-methylperoxy-2-oxoethyl)phenyl]benzoic acid Traditional Name: 3-[2-(3,4-diamoxyphenyl)-6-(2-keto-2-methylperoxy-ethyl)phenyl]benzoic acid Formula: C32H38O7 MolecularWeight: 534.63992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=C(C(=CC=C2)CC(=O)OOC)C3=CC(=CC=C3)C(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=C(C(=CC=C2)CC(=O)OOC)C3=CC(=CC=C3)C(=O)O)OCCCCC

InChI

InChI=1S/C32H38O7/c1-4-6-8-18-37-28-17-16-23(21-29(28)38-19-9-7-5-2)27-15-11-13-25(22-30(33)39-36-3)31(27)24-12-10-14-26(20-24)32(34)35/h10-17,20-21H,4-9,18-19,22H2,1-3H3,(H,34,35)