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

Systemtic Name: sodium (Z)-3-(1-sulfoethoxycarbonyl)pentadec-2-enoate Openeye Name: sodium (Z)-3-(1-sulfoethoxycarbonyl)pentadec-2-enoate CAS Name: sodium (Z)-3-[oxo(1-sulfoethoxy)methyl]-2-pentadecenoate IUPAC Name: sodium (Z)-3-(1-sulfoethoxycarbonyl)pentadec-2-enoate Traditional Name: sodium (Z)-3-(1-sulfoethoxycarbonyl)pentadec-2-enoate Formula: C18H31NaO7S MolecularWeight: 414.48931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O7S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-16(14-17(19)20)18(21)25-15(2)26(22,23)24;/h14-15H,3-13H2,1-2H3,(H,19,20)(H,22,23,24);/q;+1/p-1/b16-14-;