2-(1-decoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxy-5-nonoxy-benzoic acid

Systemtic Name: 2-(1-decoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxy-5-nonoxy-benzoic acid Openeye Name: 2-(1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxy-5-nonoxy-benzoic acid CAS Name: 2-[(1-decoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-oxomethoxy]-5-nonoxybenzoic acid IUPAC Name: 2-(1-decoxy-4-phenylcyclohexa-2,5-diene-1-carbonyl)oxy-5-nonoxybenzoic acid Traditional Name: 2-(1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxy-5-nonoxy-benzoic acid Formula: C39H54O6 MolecularWeight: 618.84246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)OCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)OCCCCCCCCC)C(=O)O

InChI

InChI=1S/C39H54O6/c1-3-5-7-9-11-13-15-20-30-44-39(27-25-33(26-28-39)32-21-17-16-18-22-32)38(42)45-36-24-23-34(31-35(36)37(40)41)43-29-19-14-12-10-8-6-4-2/h16-18,21-28,31,33H,3-15,19-20,29-30H2,1-2H3,(H,40,41)