calcium dodecyl 2-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)sulfanylpropanoate

Systemtic Name: calcium dodecyl 2-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)sulfanylpropanoate Openeye Name: calcium dodecyl 2-(2-benzyloxy-1-methyl-2-oxo-ethyl)sulfanylpropanoate CAS Name: calcium 2-[(1-oxo-1-phenylmethoxypropan-2-yl)thio]propanoic acid dodecyl ester IUPAC Name: calcium dodecyl 2-(1-oxo-1-phenylmethoxypropan-2-yl)sulfanylpropanoate Traditional Name: calcium 2-[(2-benzoxy-2-keto-1-methyl-ethyl)thio]propionic acid lauryl ester Formula: C25H40CaO4S+2 MolecularWeight: 476.7257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCC1=CC=CC=C1.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCC1=CC=CC=C1.[Ca+2]

InChI

InChI=1S/C25H40O4S.Ca/c1-4-5-6-7-8-9-10-11-12-16-19-28-24(26)21(2)30-22(3)25(27)29-20-23-17-14-13-15-18-23;/h13-15,17-18,21-22H,4-12,16,19-20H2,1-3H3;/q;+2