sodium (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoate

Systemtic Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoate Openeye Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoate CAS Name: sodium (Z)-3-[oxo(1-sulfobutoxy)methyl]-2-pentadecenoate IUPAC Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoate Traditional Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)pentadec-2-enoate Formula: C20H35NaO7S MolecularWeight: 442.54247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC/C(=C/C(=O)[O-])/C(=O)OC(CCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H36O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18(21)22)20(23)27-19(14-4-2)28(24,25)26;/h16,19H,3-15H2,1-2H3,(H,21,22)(H,24,25,26);/q;+1/p-1/b17-16-;