4-oxidanylidene-3-sulfo-4-tridecoxy-butanoic acid

Systemtic Name: 4-oxidanylidene-3-sulfo-4-tridecoxy-butanoic acid Openeye Name: 4-oxo-3-sulfo-4-tridecoxy-butanoic acid CAS Name: 4-oxo-3-sulfo-4-tridecoxybutanoic acid IUPAC Name: 4-oxo-3-sulfo-4-tridecoxybutanoic acid Traditional Name: 4-keto-3-sulfo-4-tridecoxy-butyric acid Formula: C17H32O7S MolecularWeight: 380.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H32O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-17(20)15(14-16(18)19)25(21,22)23/h15H,2-14H2,1H3,(H,18,19)(H,21,22,23)