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

Systemtic Name: 2-acetyloxy-4-[6-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]hexoxy]-3-propyl-benzoic acid Openeye Name: 2-acetoxy-4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 2-acetyloxy-4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-3-propylbenzoic acid IUPAC Name: 2-acetyloxy-4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-3-propylbenzoic acid Traditional Name: 2-acetoxy-4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-3-propyl-benzoic acid Formula: C27H36O7 MolecularWeight: 472.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)C(C)C)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)C(C)C)O)O

InChI

InChI=1S/C27H36O7/c1-5-10-21-23(15-14-22(27(31)32)26(21)34-18(4)28)33-16-9-7-6-8-11-19-12-13-20(17(2)3)25(30)24(19)29/h12-15,17,29-30H,5-11,16H2,1-4H3,(H,31,32)