methyl 4-[(3,5-dimethylphenyl)methyl]-3-dodecyl-2-methyl-benzenesulfonate

Systemtic Name: methyl 4-[(3,5-dimethylphenyl)methyl]-3-dodecyl-2-methyl-benzenesulfonate Openeye Name: methyl 4-[(3,5-dimethylphenyl)methyl]-3-dodecyl-2-methyl-benzenesulfonate CAS Name: 4-[(3,5-dimethylphenyl)methyl]-3-dodecyl-2-methylbenzenesulfonic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylphenyl)methyl]-3-dodecyl-2-methylbenzenesulfonate Traditional Name: 4-(3,5-dimethylbenzyl)-3-lauryl-2-methyl-benzenesulfonic acid methyl ester Formula: C29H44O3S MolecularWeight: 472.72286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1C)S(=O)(=O)OC)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1C)S(=O)(=O)OC)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C29H44O3S/c1-6-7-8-9-10-11-12-13-14-15-16-28-25(4)29(33(30,31)32-5)18-17-27(28)22-26-20-23(2)19-24(3)21-26/h17-21H,6-16,22H2,1-5H3