sodium (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoate

Systemtic Name: sodium (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoate Openeye Name: sodium (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoate CAS Name: sodium (Z)-3-[oxo(1-sulfopropoxy)methyl]-2-nonenoate IUPAC Name: sodium (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoate Traditional Name: sodium (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoate Formula: C13H21NaO7S MolecularWeight: 344.35641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O7S.Na/c1-3-5-6-7-8-10(9-11(14)15)13(16)20-12(4-2)21(17,18)19;/h9,12H,3-8H2,1-2H3,(H,14,15)(H,17,18,19);/q;+1/p-1/b10-9-;