sodium (E)-3-carboxynonadec-10-ene-3-sulfonate

Systemtic Name: sodium (E)-3-carboxynonadec-10-ene-3-sulfonate Openeye Name: sodium (E)-3-carboxynonadec-10-ene-3-sulfonate CAS Name: sodium (E)-3-carboxy-10-nonadecene-3-sulfonate IUPAC Name: sodium (E)-3-carboxynonadec-10-ene-3-sulfonate Traditional Name: sodium (E)-3-carboxynonadec-10-ene-3-sulfonate Formula: C20H37NaO5S MolecularWeight: 412.55955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CC)(C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H38O5S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2,19(21)22)26(23,24)25;/h11-12H,3-10,13-18H2,1-2H3,(H,21,22)(H,23,24,25);/q;+1/p-1/b12-11+;