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

Systemtic Name: 4-[6-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]hexoxy]-3-propyl-benzoic acid Openeye Name: 4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-3-propylbenzoic acid IUPAC Name: 4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-3-propylbenzoic acid Traditional Name: 4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-3-propyl-benzoic acid Formula: C25H34O5 MolecularWeight: 414.53446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)C(C)C)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)C(C)C)O)O

InChI

InChI=1S/C25H34O5/c1-4-9-19-16-20(25(28)29)12-14-22(19)30-15-8-6-5-7-10-18-11-13-21(17(2)3)24(27)23(18)26/h11-14,16-17,26-27H,4-10,15H2,1-3H3,(H,28,29)