benzene; octadecyl 2-(1-octadecoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate

Systemtic Name: benzene; octadecyl 2-(1-octadecoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: benzene; octadecyl 2-(1-methyl-2-octadecoxy-2-oxo-ethyl)sulfanylpropanoate CAS Name: benzene; 2-[(1-octadecoxy-1-oxopropan-2-yl)thio]propanoic acid octadecyl ester IUPAC Name: benzene; octadecyl 2-(1-octadecoxy-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: benzene; 2-[(2-keto-1-methyl-2-stearyloxy-ethyl)thio]propionic acid stearyl ester Formula: C48H88O4S MolecularWeight: 761.27492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCC.C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCC.C1=CC=CC=C1

InChI

InChI=1S/C42H82O4S.C6H6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-41(43)39(3)47-40(4)42(44)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-4-6-5-3-1/h39-40H,5-38H2,1-4H3;1-6H