4-(4-methylpentoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(4-methylpentoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-isohexyloxy-4-oxo-3-sulfo-butanoate CAS Name: 4-(4-methylpentoxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(4-methylpentoxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-isohexyloxy-4-keto-3-sulfo-butyrate Formula: C10H17O7S- MolecularWeight: 281.30278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O7S/c1-7(2)4-3-5-17-10(13)8(6-9(11)12)18(14,15)16/h7-8H,3-6H2,1-2H3,(H,11,12)(H,14,15,16)/p-1