[2-(nonanoyloxymethyl)-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] nonanoate

Systemtic Name: [2-(nonanoyloxymethyl)-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] nonanoate Openeye Name: [2-(nonanoyloxymethyl)-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] nonanoate CAS Name: nonanoic acid [2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-3-(1-oxononoxy)propyl] ester IUPAC Name: [2-(nonanoyloxymethyl)-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] nonanoate Traditional Name: pelargonic acid [2,2-bis(3-mercaptopropanoyloxymethyl)-3-pelargonyloxy-propyl] ester Formula: C29H52O8S2 MolecularWeight: 592.84838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCS)COC(=O)CCS

Isomeric SMILES

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCS)COC(=O)CCS

InChI

InChI=1S/C29H52O8S2/c1-3-5-7-9-11-13-15-25(30)34-21-29(23-36-27(32)17-19-38,24-37-28(33)18-20-39)22-35-26(31)16-14-12-10-8-6-4-2/h38-39H,3-24H2,1-2H3