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

Systemtic Name: 3-[(5-carboxy-3-methyl-2-oxidanyl-phenyl)-cyclohexyl-methyl]-5-methyl-4-oxidanyl-benzoic acid Openeye Name: 3-[(5-carboxy-2-hydroxy-3-methyl-phenyl)-cyclohexyl-methyl]-4-hydroxy-5-methyl-benzoic acid CAS Name: 3-[(5-carboxy-2-hydroxy-3-methylphenyl)-cyclohexylmethyl]-4-hydroxy-5-methylbenzoic acid IUPAC Name: 3-[(5-carboxy-2-hydroxy-3-methylphenyl)-cyclohexylmethyl]-4-hydroxy-5-methylbenzoic acid Traditional Name: 3-[(5-carboxy-2-hydroxy-3-methyl-phenyl)-cyclohexyl-methyl]-4-hydroxy-5-methyl-benzoic acid Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)C(C2CCCCC2)C3=CC(=CC(=C3O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)C(C2CCCCC2)C3=CC(=CC(=C3O)C)C(=O)O)O

InChI

InChI=1S/C23H26O6/c1-12-8-15(22(26)27)10-17(20(12)24)19(14-6-4-3-5-7-14)18-11-16(23(28)29)9-13(2)21(18)25/h8-11,14,19,24-25H,3-7H2,1-2H3,(H,26,27)(H,28,29)