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

Systemtic Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoate Openeye Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoate CAS Name: sodium (Z)-3-[oxo(1-sulfobutoxy)methyl]-2-hexadecenoate IUPAC Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoate Traditional Name: sodium (Z)-3-(1-sulfobutoxycarbonyl)hexadec-2-enoate Formula: C21H37NaO7S MolecularWeight: 456.56905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-16-18(17-19(22)23)21(24)28-20(15-4-2)29(25,26)27;/h17,20H,3-16H2,1-2H3,(H,22,23)(H,25,26,27);/q;+1/p-1/b18-17-;