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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-phenethyloxy-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-5-methyl-2-phenethyloxy-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-phenethyloxyphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-phenethyloxyphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-5-methyl-2-phenethyloxy-benzyl]-2-hydroxy-benzoic acid Formula: C31H28O7 MolecularWeight: 512.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OCCC3=CC=CC=C3)CC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OCCC3=CC=CC=C3)CC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C31H28O7/c1-19-13-23(15-21-7-9-27(32)25(17-21)30(34)35)29(38-12-11-20-5-3-2-4-6-20)24(14-19)16-22-8-10-28(33)26(18-22)31(36)37/h2-10,13-14,17-18,32-33H,11-12,15-16H2,1H3,(H,34,35)(H,36,37)