2-(phenylmethyl)-8-propyl-dodecanethioic S-acid

Systemtic Name: 2-(phenylmethyl)-8-propyl-dodecanethioic S-acid Openeye Name: 2-benzyl-8-propyl-dodecanethioic S-acid CAS Name: 2-(phenylmethyl)-8-propyldodecanethioic S-acid IUPAC Name: 2-benzyl-8-propyldodecanethioic S-acid Traditional Name: 2-benzyl-8-propyl-thiolauric acid Formula: C22H36OS MolecularWeight: 348.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CCCCCC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCC(CCC)CCCCCC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C22H36OS/c1-3-5-13-19(12-4-2)14-8-7-11-17-21(22(23)24)18-20-15-9-6-10-16-20/h6,9-10,15-16,19,21H,3-5,7-8,11-14,17-18H2,1-2H3,(H,23,24)