2-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-3,5-dimethyl-6-oxidanyl-benzoic acid

Systemtic Name: 2-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-3,5-dimethyl-6-oxidanyl-benzoic acid Openeye Name: 2-[(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-6-hydroxy-3,5-dimethyl-benzoic acid CAS Name: 2-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-6-hydroxy-3,5-dimethylbenzoic acid IUPAC Name: 2-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-6-hydroxy-3,5-dimethylbenzoic acid Traditional Name: 2-(3-carboxy-4-hydroxy-5-methyl-benzyl)-6-hydroxy-3,5-dimethyl-benzoic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O)C

InChI

InChI=1S/C18H18O6/c1-8-4-9(2)16(20)14(18(23)24)12(8)6-11-5-10(3)15(19)13(7-11)17(21)22/h4-5,7,19-20H,6H2,1-3H3,(H,21,22)(H,23,24)