[15-cyano-15-(1-ethoxyethoxy)-13-methyl-pentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [15-cyano-15-(1-ethoxyethoxy)-13-methyl-pentadecyl] 4-methylbenzenesulfonate Openeye Name: [15-cyano-15-(1-ethoxyethoxy)-13-methyl-pentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [15-cyano-15-(1-ethoxyethoxy)-13-methylpentadecyl] ester IUPAC Name: [15-cyano-15-(1-ethoxyethoxy)-13-methylpentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [15-cyano-15-(1-ethoxyethoxy)-13-methyl-pentadecyl] ester Formula: C28H47NO5S MolecularWeight: 509.74148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(CC(C)CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCOC(C)OC(CC(C)CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)C#N

InChI

InChI=1S/C28H47NO5S/c1-5-32-26(4)34-27(23-29)22-25(3)16-14-12-10-8-6-7-9-11-13-15-21-33-35(30,31)28-19-17-24(2)18-20-28/h17-20,25-27H,5-16,21-22H2,1-4H3