sodium 2-(9-octyloctadecan-9-yl)-2-sulfo-butanedioate

Systemtic Name: sodium 2-(9-octyloctadecan-9-yl)-2-sulfo-butanedioate Openeye Name: sodium 2-(1,1-dioctyldecyl)-2-sulfo-butanedioate CAS Name: sodium 2-(9-octyloctadecan-9-yl)-2-sulfobutanedioate IUPAC Name: sodium 2-(9-octyloctadecan-9-yl)-2-sulfobutanedioate Traditional Name: sodium 2-(1,1-dioctyldecyl)-2-sulfo-succinate Formula: C30H56NaO7S- MolecularWeight: 583.81621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C30H58O7S.Na/c1-4-7-10-13-16-19-22-25-29(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)30(28(33)34,26-27(31)32)38(35,36)37;/h4-26H2,1-3H3,(H,31,32)(H,33,34)(H,35,36,37);/q;+1/p-2