disodium 2-sulfo-2-tridecyl-butanedioate

Systemtic Name: disodium 2-sulfo-2-tridecyl-butanedioate Openeye Name: disodium 2-sulfo-2-tridecyl-butanedioate CAS Name: disodium 2-sulfo-2-tridecylbutanedioate IUPAC Name: disodium 2-sulfo-2-tridecylbutanedioate Traditional Name: disodium 2-sulfo-2-tridecyl-succinate Formula: C17H30Na2O7S MolecularWeight: 424.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(16(20)21,14-15(18)19)25(22,23)24;;/h2-14H2,1H3,(H,18,19)(H,20,21)(H,22,23,24);;/q;2*+1/p-2