4-[6-[2,3-bis[(4-methylphenyl)carbonyloxy]phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[2,3-bis[(4-methylphenyl)carbonyloxy]phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-[2,3-bis[(4-methylbenzoyl)oxy]phenyl]hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-[2,3-bis[(4-methylphenyl)-oxomethoxy]phenyl]hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-[2,3-bis[(4-methylbenzoyl)oxy]phenyl]hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-[2,3-bis(p-toluoyloxy)phenyl]hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C38H40O8 MolecularWeight: 624.7194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=C(C(=CC=C2)OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=C(C(=CC=C2)OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C38H40O8/c1-4-10-30-32(23-22-31(34(30)39)36(40)41)44-24-8-6-5-7-11-27-12-9-13-33(45-37(42)28-18-14-25(2)15-19-28)35(27)46-38(43)29-20-16-26(3)17-21-29/h9,12-23,39H,4-8,10-11,24H2,1-3H3,(H,40,41)