2-phenyl-8-propyl-dodecanethioic S-acid

Systemtic Name: 2-phenyl-8-propyl-dodecanethioic S-acid Openeye Name: 2-phenyl-8-propyl-dodecanethioic S-acid CAS Name: 2-phenyl-8-propyldodecanethioic S-acid IUPAC Name: 2-phenyl-8-propyldodecanethioic S-acid Traditional Name: 2-phenyl-8-propyl-thiolauric acid Formula: C21H34OS MolecularWeight: 334.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34OS/c1-3-5-13-18(12-4-2)14-8-6-11-17-20(21(22)23)19-15-9-7-10-16-19/h7,9-10,15-16,18,20H,3-6,8,11-14,17H2,1-2H3,(H,22,23)