O1-methyl O16-sulfo 2-decylhexadecanedioate

Systemtic Name: O1-methyl O16-sulfo 2-decylhexadecanedioate Openeye Name: O1-methyl O16-sulfo 2-decylhexadecanedioate CAS Name: 2-decylhexadecanedioic acid O1-methyl ester O16-sulfo ester IUPAC Name: 1-O-methyl 16-O-sulfo 2-decylhexadecanedioate Traditional Name: 2-decylthapsic acid O1-methyl ester O16-sulfo ester Formula: C27H52O7S MolecularWeight: 520.76258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCC(=O)OS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCC(=O)OS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C27H52O7S/c1-3-4-5-6-7-13-16-19-22-25(27(29)33-2)23-20-17-14-11-9-8-10-12-15-18-21-24-26(28)34-35(30,31)32/h25H,3-24H2,1-2H3,(H,30,31,32)