2-tetradecyloctadecyl 3-sulfooxypropanoate

Systemtic Name: 2-tetradecyloctadecyl 3-sulfooxypropanoate Openeye Name: 2-tetradecyloctadecyl 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid 2-tetradecyloctadecyl ester IUPAC Name: 2-tetradecyloctadecyl 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid 2-myristyloctadecyl ester Formula: C35H70O6S MolecularWeight: 618.9917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C35H70O6S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-40-35(36)31-32-41-42(37,38)39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H,37,38,39)