sodium 2,3-bis(2-ethylpentyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(2-ethylpentyl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(2-ethylpentyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(2-ethylpentyl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(2-ethylpentyl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(2-ethylpentyl)-2-sulfo-succinate Formula: C18H32NaO7S- MolecularWeight: 415.49725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O7S.Na/c1-5-9-13(7-3)11-15(16(19)20)18(17(21)22,26(23,24)25)12-14(8-4)10-6-2;/h13-15H,5-12H2,1-4H3,(H,19,20)(H,21,22)(H,23,24,25);/q;+1/p-2