[(E)-34-oxidanylidene-16-(phenylsulfonyl)hexatriacont-20-en-15-yl] ethanoate

Systemtic Name: [(E)-34-oxidanylidene-16-(phenylsulfonyl)hexatriacont-20-en-15-yl] ethanoate Openeye Name: [(E)-2-(benzenesulfonyl)-20-oxo-1-tetradecyl-docos-6-enyl] acetate CAS Name: acetic acid [(E)-16-(benzenesulfonyl)-34-oxohexatriacont-20-en-15-yl] ester IUPAC Name: [(E)-16-(benzenesulfonyl)-34-oxohexatriacont-20-en-15-yl] acetate Traditional Name: acetic acid [(E)-2-besyl-20-keto-1-myristyl-docos-6-enyl] ester Formula: C44H76O5S MolecularWeight: 717.13624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CCC/C=C/CCCCCCCCCCCCC(=O)CC)S(=O)(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C44H76O5S/c1-4-6-7-8-9-10-11-18-21-24-27-33-38-43(49-40(3)45)44(50(47,48)42-36-31-29-32-37-42)39-34-28-25-22-19-16-14-12-13-15-17-20-23-26-30-35-41(46)5-2/h22,25,29,31-32,36-37,43-44H,4-21,23-24,26-28,30,33-35,38-39H2,1-3H3/b25-22+