5-[(6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2-oxidanyl-3-phenyl-benzoate

Systemtic Name: 5-[(6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2-oxidanyl-3-phenyl-benzoate Openeye Name: 5-[(6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2-hydroxy-3-phenyl-benzoate CAS Name: 5-[(6,6-dimethyl-1-cyclohexa-2,4-dienyl)methyl]-2-hydroxy-3-phenylbenzoate IUPAC Name: 5-[(6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2-hydroxy-3-phenylbenzoate Traditional Name: 5-[(6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2-hydroxy-3-phenyl-benzoate Formula: C22H21O3- MolecularWeight: 333.40034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1CC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C(=O)[O-])C

Isomeric SMILES

CC1(C=CC=CC1CC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C(=O)[O-])C

InChI

InChI=1S/C22H22O3/c1-22(2)11-7-6-10-17(22)12-15-13-18(16-8-4-3-5-9-16)20(23)19(14-15)21(24)25/h3-11,13-14,17,23H,12H2,1-2H3,(H,24,25)/p-1