5-[(3-carboxylato-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[(3-carboxylato-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoate Openeye Name: 5-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-3-methyl-benzoate CAS Name: 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoate IUPAC Name: 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoate Traditional Name: 5-(3-carboxylato-4-hydroxy-5-methyl-benzyl)-2-hydroxy-3-methyl-benzoate Formula: C17H14O6-2 MolecularWeight: 314.28946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C(=O)[O-])O)C)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C(=O)[O-])O)C)C(=O)[O-])O

InChI

InChI=1S/C17H16O6/c1-8-3-10(6-12(14(8)18)16(20)21)5-11-4-9(2)15(19)13(7-11)17(22)23/h3-4,6-7,18-19H,5H2,1-2H3,(H,20,21)(H,22,23)/p-2