pentyl 2-(3-methylbutyl)-6-sulfanyl-undecanoate

Systemtic Name: pentyl 2-(3-methylbutyl)-6-sulfanyl-undecanoate Openeye Name: pentyl 2-isopentyl-6-sulfanyl-undecanoate CAS Name: 6-mercapto-2-(3-methylbutyl)undecanoic acid pentyl ester IUPAC Name: pentyl 2-(3-methylbutyl)-6-sulfanylundecanoate Traditional Name: 2-isoamyl-6-mercapto-undecanoic acid amyl ester Formula: C21H42O2S MolecularWeight: 358.62198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCC(C)C)C(=O)OCCCCC)S

Isomeric SMILES

CCCCCC(CCCC(CCC(C)C)C(=O)OCCCCC)S

InChI

InChI=1S/C21H42O2S/c1-5-7-9-13-20(24)14-11-12-19(16-15-18(3)4)21(22)23-17-10-8-6-2/h18-20,24H,5-17H2,1-4H3