dodecyl 3-phenyl-2-sulfanyl-propanoate

Systemtic Name: dodecyl 3-phenyl-2-sulfanyl-propanoate Openeye Name: dodecyl 3-phenyl-2-sulfanyl-propanoate CAS Name: 2-mercapto-3-phenylpropanoic acid dodecyl ester IUPAC Name: dodecyl 3-phenyl-2-sulfanylpropanoate Traditional Name: 2-mercapto-3-phenyl-propionic acid lauryl ester Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)S

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)S

InChI

InChI=1S/C21H34O2S/c1-2-3-4-5-6-7-8-9-10-14-17-23-21(22)20(24)18-19-15-12-11-13-16-19/h11-13,15-16,20,24H,2-10,14,17-18H2,1H3