5-[3-(3-carboxy-4-oxidanyl-phenyl)-4-(4-ethylhexoxy)-5-methyl-phenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-(3-carboxy-4-oxidanyl-phenyl)-4-(4-ethylhexoxy)-5-methyl-phenyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(3-carboxy-4-hydroxy-phenyl)-4-(4-ethylhexoxy)-5-methyl-phenyl]-2-hydroxy-benzoic acid CAS Name: 5-[3-(3-carboxy-4-hydroxyphenyl)-4-(4-ethylhexoxy)-5-methylphenyl]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(3-carboxy-4-hydroxyphenyl)-4-(4-ethylhexoxy)-5-methylphenyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-phenyl)-4-(4-ethylhexoxy)-5-methyl-phenyl]-2-hydroxy-benzoic acid Formula: C29H32O7 MolecularWeight: 492.56018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCOC1=C(C=C(C=C1C)C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCC(CC)CCCOC1=C(C=C(C=C1C)C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C29H32O7/c1-4-18(5-2)7-6-12-36-27-17(3)13-21(19-8-10-25(30)23(14-19)28(32)33)16-22(27)20-9-11-26(31)24(15-20)29(34)35/h8-11,13-16,18,30-31H,4-7,12H2,1-3H3,(H,32,33)(H,34,35)