dodecyl 2-(3-methoxyphenyl)-2-sulfanyl-propanoate

Systemtic Name: dodecyl 2-(3-methoxyphenyl)-2-sulfanyl-propanoate Openeye Name: dodecyl 2-(3-methoxyphenyl)-2-sulfanyl-propanoate CAS Name: 2-mercapto-2-(3-methoxyphenyl)propanoic acid dodecyl ester IUPAC Name: dodecyl 2-(3-methoxyphenyl)-2-sulfanylpropanoate Traditional Name: 2-mercapto-2-(3-methoxyphenyl)propionic acid lauryl ester Formula: C22H36O3S MolecularWeight: 380.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3S/c1-4-5-6-7-8-9-10-11-12-13-17-25-21(23)22(2,26)19-15-14-16-20(18-19)24-3/h14-16,18,26H,4-13,17H2,1-3H3