6-methylheptyl 2-[2,3-bis(oxidanyl)propylsulfanyl]ethanoate

Systemtic Name: 6-methylheptyl 2-[2,3-bis(oxidanyl)propylsulfanyl]ethanoate Openeye Name: 6-methylheptyl 2-(2,3-dihydroxypropylsulfanyl)acetate CAS Name: 2-(2,3-dihydroxypropylthio)acetic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 2-(2,3-dihydroxypropylsulfanyl)acetate Traditional Name: 2-(glycerylthio)acetic acid 6-methylheptyl ester Formula: C13H26O4S MolecularWeight: 278.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CSCC(CO)O

Isomeric SMILES

CC(C)CCCCCOC(=O)CSCC(CO)O

InChI

InChI=1S/C13H26O4S/c1-11(2)6-4-3-5-7-17-13(16)10-18-9-12(15)8-14/h11-12,14-15H,3-10H2,1-2H3