4-[(4-nonylphenyl)-oxidanyl-methyl]-4,5-bis(oxidanyl)hexanoic acid

Systemtic Name: 4-[(4-nonylphenyl)-oxidanyl-methyl]-4,5-bis(oxidanyl)hexanoic acid Openeye Name: 4,5-dihydroxy-4-[hydroxy-(4-nonylphenyl)methyl]hexanoic acid CAS Name: 4,5-dihydroxy-4-[hydroxy-(4-nonylphenyl)methyl]hexanoic acid IUPAC Name: 4,5-dihydroxy-4-[hydroxy-(4-nonylphenyl)methyl]hexanoic acid Traditional Name: 4,5-dihydroxy-4-[hydroxy-(4-nonylphenyl)methyl]hexanoic acid Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCC(=O)O)(C(C)O)O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCC(=O)O)(C(C)O)O)O

InChI

InChI=1S/C22H36O5/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(26)22(27,17(2)23)16-15-20(24)25/h11-14,17,21,23,26-27H,3-10,15-16H2,1-2H3,(H,24,25)