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

Systemtic Name: 5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)-(4-cyanophenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C#N)C3=CC(=C(C(=C3)C(=O)O)O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C#N)C3=CC(=C(C(=C3)C(=O)O)O)C)C(=O)O)O

InChI

InChI=1S/C24H19NO6/c1-12-7-16(9-18(21(12)26)23(28)29)20(15-5-3-14(11-25)4-6-15)17-8-13(2)22(27)19(10-17)24(30)31/h3-10,20,26-27H,1-2H3,(H,28,29)(H,30,31)