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

Systemtic Name: sodium (E)-2-dodecyl-3-(1-sulfopropyl)but-2-enedioate Openeye Name: sodium (E)-2-dodecyl-3-(1-sulfopropyl)but-2-enedioate CAS Name: sodium (E)-2-dodecyl-3-(1-sulfopropyl)-2-butenedioate IUPAC Name: sodium (E)-2-dodecyl-3-(1-sulfopropyl)but-2-enedioate Traditional Name: sodium (E)-2-lauryl-3-(1-sulfopropyl)but-2-enedioate Formula: C19H32NaO7S- MolecularWeight: 427.50795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15(18(20)21)17(19(22)23)16(4-2)27(24,25)26;/h16H,3-14H2,1-2H3,(H,20,21)(H,22,23)(H,24,25,26);/q;+1/p-2/b17-15-;