methyl 4-(2-hexyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate

Systemtic Name: methyl 4-(2-hexyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate Openeye Name: methyl 4-(2-hexyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate CAS Name: 4-[(2-hexyl-4,5-dimethyl-1-cyclohexa-1,4-dienyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(2-hexyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)sulfanylbenzoate Traditional Name: 4-[(2-hexyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)thio]benzoic acid methyl ester Formula: C22H30O2S MolecularWeight: 358.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(CC(=C(C1)C)C)SC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(CC(=C(C1)C)C)SC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H30O2S/c1-5-6-7-8-9-19-14-16(2)17(3)15-21(19)25-20-12-10-18(11-13-20)22(23)24-4/h10-13H,5-9,14-15H2,1-4H3