[4-(hydroxymethyl)cyclohexyl]methanol; 2-(1-octadecoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate

Systemtic Name: [4-(hydroxymethyl)cyclohexyl]methanol; 2-(1-octadecoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: [4-(hydroxymethyl)cyclohexyl]methanol; 2-(1-methyl-2-octadecoxy-2-oxo-ethyl)sulfanylpropanoate CAS Name: [4-(hydroxymethyl)cyclohexyl]methanol; 2-[(1-octadecoxy-1-oxopropan-2-yl)thio]propanoate IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol; 2-(1-octadecoxy-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 2-[(2-keto-1-methyl-2-stearyloxy-ethyl)thio]propionate; (4-methylolcyclohexyl)methanol Formula: C32H61O6S- MolecularWeight: 573.88814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)[O-].C1CC(CCC1CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)[O-].C1CC(CCC1CO)CO

InChI

InChI=1S/C24H46O4S.C8H16O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)22(3)29-21(2)23(25)26;9-5-7-1-2-8(6-10)4-3-7/h21-22H,4-20H2,1-3H3,(H,25,26);7-10H,1-6H2/p-1