4-[(2-decoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: 4-[(2-decoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: 4-[(2-decoxy-2-oxo-ethyl)amino]-4-oxo-2-sulfonato-butanoate CAS Name: 4-[(2-decoxy-2-oxoethyl)amino]-4-oxo-2-sulfonatobutanoate IUPAC Name: 4-[(2-decoxy-2-oxoethyl)amino]-4-oxo-2-sulfonatobutanoate Traditional Name: 4-[(2-decoxy-2-keto-ethyl)amino]-4-keto-2-sulfonato-butyrate Formula: C16H27NO8S-2 MolecularWeight: 393.45248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC(=O)CNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H29NO8S/c1-2-3-4-5-6-7-8-9-10-25-15(19)12-17-14(18)11-13(16(20)21)26(22,23)24/h13H,2-12H2,1H3,(H,17,18)(H,20,21)(H,22,23,24)/p-2