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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-methoxy-5-(2-methylundecan-2-yl)phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-5-(1,1-dimethyldecyl)-2-methoxy-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-methoxy-5-(2-methylundecan-2-yl)phenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-methoxy-5-(2-methylundecan-2-yl)phenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-5-(1,1-dimethyldecyl)-2-methoxy-benzyl]-2-hydroxy-benzoic acid Formula: C35H44O7 MolecularWeight: 576.71966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OC)CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OC)CC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C35H44O7/c1-5-6-7-8-9-10-11-16-35(2,3)27-21-25(17-23-12-14-30(36)28(19-23)33(38)39)32(42-4)26(22-27)18-24-13-15-31(37)29(20-24)34(40)41/h12-15,19-22,36-37H,5-11,16-18H2,1-4H3,(H,38,39)(H,40,41)