sodium 2,3-di(octan-3-yl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-di(octan-3-yl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(1-ethylhexyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-di(octan-3-yl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-di(octan-3-yl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(1-ethylhexyl)-2-sulfo-succinate Formula: C20H36NaO7S- MolecularWeight: 443.55041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)[O-])C(C(CC)CCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCC(CC)C(C(=O)[O-])C(C(CC)CCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H38O7S.Na/c1-5-9-11-13-15(7-3)17(18(21)22)20(19(23)24,28(25,26)27)16(8-4)14-12-10-6-2;/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);/q;+1/p-2