disodium 2-decyl-2-(3-methylbutyl)-3-sulfo-butanedioate

Systemtic Name: disodium 2-decyl-2-(3-methylbutyl)-3-sulfo-butanedioate Openeye Name: disodium 2-decyl-2-isopentyl-3-sulfo-butanedioate CAS Name: disodium 2-decyl-2-(3-methylbutyl)-3-sulfobutanedioate IUPAC Name: disodium 2-decyl-2-(3-methylbutyl)-3-sulfobutanedioate Traditional Name: disodium 2-decyl-2-isoamyl-3-sulfo-succinate Formula: C19H34Na2O7S MolecularWeight: 452.5136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC(C)C)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC(CCC(C)C)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H36O7S.2Na/c1-4-5-6-7-8-9-10-11-13-19(18(22)23,14-12-15(2)3)16(17(20)21)27(24,25)26;;/h15-16H,4-14H2,1-3H3,(H,20,21)(H,22,23)(H,24,25,26);;/q;2*+1/p-2