5-[[3-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-2-ethoxy-5-(2-methyloctan-2-yl)phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-2-ethoxy-5-(2-methyloctan-2-yl)phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-5-(1,1-dimethylheptyl)-2-ethoxy-phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-ethoxy-5-(2-methyloctan-2-yl)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-ethoxy-5-(2-methyloctan-2-yl)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-5-methyl-benzyl)-5-(1,1-dimethylheptyl)-2-ethoxy-benzyl]-2-hydroxy-3-methyl-benzoic acid Formula: C35H44O7 MolecularWeight: 576.71966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C(=C1)CC2=CC(=C(C(=C2)C(=O)O)O)C)OCC)CC3=CC(=C(C(=C3)C(=O)O)O)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C(=C1)CC2=CC(=C(C(=C2)C(=O)O)O)C)OCC)CC3=CC(=C(C(=C3)C(=O)O)O)C

InChI

InChI=1S/C35H44O7/c1-7-9-10-11-12-35(5,6)27-19-25(15-23-13-21(3)30(36)28(17-23)33(38)39)32(42-8-2)26(20-27)16-24-14-22(4)31(37)29(18-24)34(40)41/h13-14,17-20,36-37H,7-12,15-16H2,1-6H3,(H,38,39)(H,40,41)