sodium (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioate

Systemtic Name: sodium (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioate Openeye Name: sodium (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioate CAS Name: sodium (E)-2-hexadecyl-3-(1-sulfopropyl)-2-butenedioate IUPAC Name: sodium (E)-2-hexadecyl-3-(1-sulfopropyl)but-2-enedioate Traditional Name: sodium (E)-2-cetyl-3-(1-sulfopropyl)but-2-enedioate Formula: C23H40NaO7S- MolecularWeight: 483.61427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC/C(=C(\C(CC)S(=O)(=O)O)/C(=O)[O-])/C(=O)[O-].[Na+]

InChI

InChI=1S/C23H42O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22(24)25)21(23(26)27)20(4-2)31(28,29)30;/h20H,3-18H2,1-2H3,(H,24,25)(H,26,27)(H,28,29,30);/q;+1/p-2/b21-19-;