pentyl 6-(12,12-dimethyl-10-pentoxycarbonyl-tridecan-6-yl)sulfanyl-2-(2,2-dimethylpropyl)undecanoate

Systemtic Name: pentyl 6-(12,12-dimethyl-10-pentoxycarbonyl-tridecan-6-yl)sulfanyl-2-(2,2-dimethylpropyl)undecanoate Openeye Name: pentyl 6-(7,7-dimethyl-5-pentoxycarbonyl-1-pentyl-octyl)sulfanyl-2-(2,2-dimethylpropyl)undecanoate CAS Name: 6-[[12,12-dimethyl-10-[oxo(pentoxy)methyl]tridecan-6-yl]thio]-2-(2,2-dimethylpropyl)undecanoic acid pentyl ester IUPAC Name: pentyl 6-(12,12-dimethyl-10-pentoxycarbonyltridecan-6-yl)sulfanyl-2-(2,2-dimethylpropyl)undecanoate Traditional Name: 6-[(5-amoxycarbonyl-1-amyl-7,7-dimethyl-octyl)thio]-2-neopentyl-undecanoic acid amyl ester Formula: C42H82O4S MolecularWeight: 683.16308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC(C)(C)C)C(=O)OCCCCC)SC(CCCCC)CCCC(CC(C)(C)C)C(=O)OCCCCC

Isomeric SMILES

CCCCCC(CCCC(CC(C)(C)C)C(=O)OCCCCC)SC(CCCCC)CCCC(CC(C)(C)C)C(=O)OCCCCC

InChI

InChI=1S/C42H82O4S/c1-11-15-19-27-37(29-23-25-35(33-41(5,6)7)39(43)45-31-21-17-13-3)47-38(28-20-16-12-2)30-24-26-36(34-42(8,9)10)40(44)46-32-22-18-14-4/h35-38H,11-34H2,1-10H3