4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoic acid Openeye Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid CAS Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid IUPAC Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Traditional Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-6-13(2)18(19-14(3)8-7-11-21(19,4)5)16-10-9-15(20(23)24)12-17(16)22/h6,9-10,12,22H,1,7-8,11H2,2-5H3,(H,23,24)/b18-13+