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

Systemtic Name: disodium 5-[(3-carboxylato-5-methyl-4-oxidanyl-phenyl)-phenyl-methyl]-3-methyl-2-oxidanyl-benzoate Openeye Name: disodium 5-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-phenyl-methyl]-2-hydroxy-3-methyl-benzoate CAS Name: disodium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)-phenylmethyl]-2-hydroxy-3-methylbenzoate IUPAC Name: disodium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)-phenylmethyl]-2-hydroxy-3-methylbenzoate Traditional Name: disodium 5-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-phenyl-methyl]-2-hydroxy-3-methyl-benzoate Formula: C23H18Na2O6 MolecularWeight: 436.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C(=C3)C(=O)[O-])O)C)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C(=C3)C(=O)[O-])O)C)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C23H20O6.2Na/c1-12-8-15(10-17(20(12)24)22(26)27)19(14-6-4-3-5-7-14)16-9-13(2)21(25)18(11-16)23(28)29;;/h3-11,19,24-25H,1-2H3,(H,26,27)(H,28,29);;/q;2*+1/p-2