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

Systemtic Name: 4-[6-(2,3-diacetyloxy-4-propan-2-yl-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2,3-diacetoxy-4-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2,3-diacetyloxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2,3-diacetyloxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2,3-diacetoxy-4-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C29H38O8 MolecularWeight: 514.60722

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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)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H38O8/c1-6-11-23-25(16-15-24(26(23)32)29(33)34)35-17-10-8-7-9-12-21-13-14-22(18(2)3)28(37-20(5)31)27(21)36-19(4)30/h13-16,18,32H,6-12,17H2,1-5H3,(H,33,34)