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

Systemtic Name: disodium 2-dodecyl-2-(3-methylbutyl)-3-sulfo-butanedioate Openeye Name: disodium 2-dodecyl-2-isopentyl-3-sulfo-butanedioate CAS Name: disodium 2-dodecyl-2-(3-methylbutyl)-3-sulfobutanedioate IUPAC Name: disodium 2-dodecyl-2-(3-methylbutyl)-3-sulfobutanedioate Traditional Name: disodium 2-isoamyl-2-lauryl-3-sulfo-succinate Formula: C21H38Na2O7S MolecularWeight: 480.56676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O7S.2Na/c1-4-5-6-7-8-9-10-11-12-13-15-21(20(24)25,16-14-17(2)3)18(19(22)23)29(26,27)28;;/h17-18H,4-16H2,1-3H3,(H,22,23)(H,24,25)(H,26,27,28);;/q;2*+1/p-2