4-[4-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]butoxy]-3,5-dipropyl-benzoic acid

Systemtic Name: 4-[4-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]butoxy]-3,5-dipropyl-benzoic acid Openeye Name: 4-[4-(2,3-dihydroxy-4-isopropyl-phenyl)butoxy]-3,5-dipropyl-benzoic acid CAS Name: 4-[4-(2,3-dihydroxy-4-propan-2-ylphenyl)butoxy]-3,5-dipropylbenzoic acid IUPAC Name: 4-[4-(2,3-dihydroxy-4-propan-2-ylphenyl)butoxy]-3,5-dipropylbenzoic acid Traditional Name: 4-[4-(2,3-dihydroxy-4-isopropyl-phenyl)butoxy]-3,5-dipropyl-benzoic acid Formula: C26H36O5 MolecularWeight: 428.56104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OCCCCC2=C(C(=C(C=C2)C(C)C)O)O)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OCCCCC2=C(C(=C(C=C2)C(C)C)O)O)CCC)C(=O)O

InChI

InChI=1S/C26H36O5/c1-5-9-19-15-21(26(29)30)16-20(10-6-2)25(19)31-14-8-7-11-18-12-13-22(17(3)4)24(28)23(18)27/h12-13,15-17,27-28H,5-11,14H2,1-4H3,(H,29,30)