3-methoxycarbonyl-3-sulfo-octanoic acid

Systemtic Name: 3-methoxycarbonyl-3-sulfo-octanoic acid Openeye Name: 3-methoxycarbonyl-3-sulfo-octanoic acid CAS Name: 3-methoxycarbonyl-3-sulfooctanoic acid IUPAC Name: 3-methoxycarbonyl-3-sulfooctanoic acid Traditional Name: 3-carbomethoxy-3-sulfo-caprylic acid Formula: C10H18O7S MolecularWeight: 282.31072

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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)