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

Systemtic Name: 5-[bis(3-carboxy-5-methyl-4-oxidanyl-phenyl)-oxidanyl-methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)-hydroxy-methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)-hydroxymethyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)-hydroxymethyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)-hydroxy-methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C25H22O10 MolecularWeight: 482.43618

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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)O)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)O)C(=O)O)O

InChI

InChI=1S/C25H22O10/c1-10-4-13(7-16(19(10)26)22(29)30)25(35,14-5-11(2)20(27)17(8-14)23(31)32)15-6-12(3)21(28)18(9-15)24(33)34/h4-9,26-28,35H,1-3H3,(H,29,30)(H,31,32)(H,33,34)