3-methoxycarbonyl-3-sulfo-octanoate

Systemtic Name: 3-methoxycarbonyl-3-sulfo-octanoate Openeye Name: 3-methoxycarbonyl-3-sulfo-octanoate CAS Name: 3-methoxycarbonyl-3-sulfooctanoate IUPAC Name: 3-methoxycarbonyl-3-sulfooctanoate Traditional Name: 3-carbomethoxy-3-sulfo-caprylate Formula: C10H17O7S- MolecularWeight: 281.30278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)[O-])(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC(=O)[O-])(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C10H18O7S/c1-3-4-5-6-10(7-8(11)12,9(13)17-2)18(14,15)16/h3-7H2,1-2H3,(H,11,12)(H,14,15,16)/p-1