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

Systemtic Name: 3-[2-(3,4-dipentoxyphenyl)-6-(3-methylperoxy-3-oxidanylidene-propyl)phenyl]benzoic acid Openeye Name: 3-[2-(3,4-dipentoxyphenyl)-6-(3-methylperoxy-3-oxo-propyl)phenyl]benzoic acid CAS Name: 3-[2-(3,4-dipentoxyphenyl)-6-(3-methyldioxy-3-oxopropyl)phenyl]benzoic acid IUPAC Name: 3-[2-(3,4-dipentoxyphenyl)-6-(3-methylperoxy-3-oxopropyl)phenyl]benzoic acid Traditional Name: 3-[2-(3,4-diamoxyphenyl)-6-(3-keto-3-methylperoxy-propyl)phenyl]benzoic acid Formula: C33H40O7 MolecularWeight: 548.6665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40O7/c1-4-6-8-20-38-29-18-16-25(23-30(29)39-21-9-7-5-2)28-15-11-12-24(17-19-31(34)40-37-3)32(28)26-13-10-14-27(22-26)33(35)36/h10-16,18,22-23H,4-9,17,19-21H2,1-3H3,(H,35,36)