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

Systemtic Name: 5-[[3-carboxy-4-oxidanyl-5-(phenylmethyl)phenyl]methyl]-2-oxidanyl-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-5-[(3-benzyl-5-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-carboxy-4-hydroxy-5-(phenylmethyl)phenyl]methyl]-2-hydroxy-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-5-[(3-benzyl-5-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 3-benzyl-5-(3-benzyl-5-carboxy-4-hydroxy-benzyl)-2-hydroxy-benzoic acid Formula: C29H24O6 MolecularWeight: 468.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)CC3=CC(=C(C(=C3)C(=O)O)O)CC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)CC3=CC(=C(C(=C3)C(=O)O)O)CC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C29H24O6/c30-26-22(12-18-7-3-1-4-8-18)14-20(16-24(26)28(32)33)11-21-15-23(13-19-9-5-2-6-10-19)27(31)25(17-21)29(34)35/h1-10,14-17,30-31H,11-13H2,(H,32,33)(H,34,35)