6-(phenylsulfonyl)henicos-1-en-7-yl ethanoate

Systemtic Name: 6-(phenylsulfonyl)henicos-1-en-7-yl ethanoate Openeye Name: 1-[1-(benzenesulfonyl)hex-5-enyl]pentadecyl acetate CAS Name: acetic acid 6-(benzenesulfonyl)heneicos-1-en-7-yl ester IUPAC Name: 6-(benzenesulfonyl)henicos-1-en-7-yl acetate Traditional Name: acetic acid (2-besyl-1-myristyl-hept-6-enyl) ester Formula: C29H48O4S MolecularWeight: 492.75402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CCCC=C)S(=O)(=O)C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CCCC=C)S(=O)(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C29H48O4S/c1-4-6-8-9-10-11-12-13-14-15-16-21-24-28(33-26(3)30)29(25-18-7-5-2)34(31,32)27-22-19-17-20-23-27/h5,17,19-20,22-23,28-29H,2,4,6-16,18,21,24-25H2,1,3H3