sodium; hydron; (E)-9-sulfonatooctadec-2-enoate

Systemtic Name: sodium; hydron; (E)-9-sulfonatooctadec-2-enoate Openeye Name: sodium; hydron; (E)-9-sulfonatooctadec-2-enoate CAS Name: sodium; hydron; (E)-9-sulfonato-2-octadecenoate IUPAC Name: sodium; hydron; (E)-9-sulfonatooctadec-2-enoate Traditional Name: sodium; hydron; (E)-9-sulfonatooctadec-2-enoate Formula: C18H33NaO5S MolecularWeight: 384.50639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCCCCCCC(CCCCCC=CC(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

[H+].CCCCCCCCCC(CCCCC/C=C/C(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H34O5S.Na/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20;/h13,16-17H,2-12,14-15H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1/b16-13+;