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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-(2-ethylhexoxy)-5-methyl-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-(2-ethylhexoxy)-5-methyl-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-(2-ethylhexoxy)-5-methylphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-(2-ethylhexoxy)-5-methylphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-2-(2-ethylhexoxy)-5-methyl-benzyl]-2-hydroxy-benzoic acid Formula: C31H36O7 MolecularWeight: 520.61334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C)CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCC(CC)COC1=C(C=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C)CC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C31H36O7/c1-4-6-7-20(5-2)18-38-29-23(14-21-8-10-27(32)25(16-21)30(34)35)12-19(3)13-24(29)15-22-9-11-28(33)26(17-22)31(36)37/h8-13,16-17,20,32-33H,4-7,14-15,18H2,1-3H3,(H,34,35)(H,36,37)