pentyl 2-(2,2-dimethylpropyl)-6-sulfanyl-undecanoate

Systemtic Name: pentyl 2-(2,2-dimethylpropyl)-6-sulfanyl-undecanoate Openeye Name: pentyl 2-(2,2-dimethylpropyl)-6-sulfanyl-undecanoate CAS Name: 2-(2,2-dimethylpropyl)-6-mercaptoundecanoic acid pentyl ester IUPAC Name: pentyl 2-(2,2-dimethylpropyl)-6-sulfanylundecanoate Traditional Name: 6-mercapto-2-neopentyl-undecanoic acid amyl ester Formula: C21H42O2S MolecularWeight: 358.62198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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