3-[(5-carboxy-2-oxidanyl-phenyl)-(2-methylcyclohex-3-en-1-yl)methyl]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[(5-carboxy-2-oxidanyl-phenyl)-(2-methylcyclohex-3-en-1-yl)methyl]-4-oxidanyl-benzoic acid Openeye Name: 3-[(5-carboxy-2-hydroxy-phenyl)-(2-methylcyclohex-3-en-1-yl)methyl]-4-hydroxy-benzoic acid CAS Name: 3-[(5-carboxy-2-hydroxyphenyl)-(2-methyl-1-cyclohex-3-enyl)methyl]-4-hydroxybenzoic acid IUPAC Name: 3-[(5-carboxy-2-hydroxyphenyl)-(2-methylcyclohex-3-en-1-yl)methyl]-4-hydroxybenzoic acid Traditional Name: 3-[(5-carboxy-2-hydroxy-phenyl)-(2-methylcyclohex-3-en-1-yl)methyl]-4-hydroxy-benzoic acid Formula: C22H22O6 MolecularWeight: 382.40648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCCC1C(C2=C(C=CC(=C2)C(=O)O)O)C3=C(C=CC(=C3)C(=O)O)O

Isomeric SMILES

CC1C=CCCC1C(C2=C(C=CC(=C2)C(=O)O)O)C3=C(C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C22H22O6/c1-12-4-2-3-5-15(12)20(16-10-13(21(25)26)6-8-18(16)23)17-11-14(22(27)28)7-9-19(17)24/h2,4,6-12,15,20,23-24H,3,5H2,1H3,(H,25,26)(H,27,28)