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

Systemtic Name: 5-[bis(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C25H22O9 MolecularWeight: 466.43678

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22O9/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34/h4-9,19,26-28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)