3-octoxycarbonyl-3-sulfo-hex-5-enoate

Systemtic Name: 3-octoxycarbonyl-3-sulfo-hex-5-enoate Openeye Name: 3-octoxycarbonyl-3-sulfo-hex-5-enoate CAS Name: 3-[octoxy(oxo)methyl]-3-sulfo-5-hexenoate IUPAC Name: 3-octoxycarbonyl-3-sulfohex-5-enoate Traditional Name: 3-octoxycarbonyl-3-sulfo-hex-5-enoate Formula: C15H25O7S- MolecularWeight: 349.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC=C)(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C(CC=C)(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C15H26O7S/c1-3-5-6-7-8-9-11-22-14(18)15(10-4-2,12-13(16)17)23(19,20)21/h4H,2-3,5-12H2,1H3,(H,16,17)(H,19,20,21)/p-1