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

Systemtic Name: 4-[6-[2,3-bis[(4-methylphenyl)carbonyloxy]-4-propan-2-yl-phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[6-[4-isopropyl-2,3-bis[(4-methylbenzoyl)oxy]phenyl]hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-[2,3-bis[(4-methylphenyl)-oxomethoxy]-4-propan-2-ylphenyl]hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-[2,3-bis[(4-methylbenzoyl)oxy]-4-propan-2-ylphenyl]hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-[6-[4-isopropyl-2,3-bis(p-toluoyloxy)phenyl]hexoxy]-3-propyl-benzoic acid Formula: C41H46O8 MolecularWeight: 666.79914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C41H46O8/c1-6-11-33-35(24-23-34(36(33)42)39(43)44)47-25-10-8-7-9-12-29-21-22-32(26(2)3)38(49-41(46)31-19-15-28(5)16-20-31)37(29)48-40(45)30-17-13-27(4)14-18-30/h13-24,26,42H,6-12,25H2,1-5H3,(H,43,44)