4-[(E)-1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoic acid

Systemtic Name: 4-[(E)-1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoic acid Openeye Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]benzoic acid CAS Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethyl-1-cyclohexenyl)prop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoic acid Traditional Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]benzoic acid Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C19H24O3/c1-13-5-4-12-19(2,3)16(13)10-11-17(20)14-6-8-15(9-7-14)18(21)22/h6-11,17,20H,4-5,12H2,1-3H3,(H,21,22)/b11-10+