2-octadecylsulfanyl-3-sulfo-butanedioate

Systemtic Name: 2-octadecylsulfanyl-3-sulfo-butanedioate Openeye Name: 2-octadecylsulfanyl-3-sulfo-butanedioate CAS Name: 2-(octadecylthio)-3-sulfobutanedioate IUPAC Name: 2-octadecylsulfanyl-3-sulfobutanedioate Traditional Name: 2-(stearylthio)-3-sulfo-succinate Formula: C22H40O7S2-2 MolecularWeight: 480.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C22H42O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-19(21(23)24)20(22(25)26)31(27,28)29/h19-20H,2-18H2,1H3,(H,23,24)(H,25,26)(H,27,28,29)/p-2