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

Systemtic Name: phenyl 4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoate Openeye Name: phenyl 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid phenyl ester IUPAC Name: phenyl 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 3-hydroxy-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid phenyl ester Formula: C27H30O3 MolecularWeight: 402.5253

Click to see the large picture

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)OC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C(=C(\C)/C=C)/C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)O

InChI

InChI=1S/C27H30O3/c1-6-18(2)24(25-19(3)11-10-16-27(25,4)5)22-15-14-20(17-23(22)28)26(29)30-21-12-8-7-9-13-21/h6-9,12-15,17,28H,1,10-11,16H2,2-5H3/b24-18+