4-oxidanylidene-4-(4-propylnonan-4-yloxy)-3-sulfo-butanoate

Systemtic Name: 4-oxidanylidene-4-(4-propylnonan-4-yloxy)-3-sulfo-butanoate Openeye Name: 4-(1,1-dipropylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-oxo-4-(4-propylnonan-4-yloxy)-3-sulfobutanoate IUPAC Name: 4-oxo-4-(4-propylnonan-4-yloxy)-3-sulfobutanoate Traditional Name: 4-(1,1-dipropylhexoxy)-4-keto-3-sulfo-butyrate Formula: C16H29O7S- MolecularWeight: 365.46226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S/c1-4-7-8-11-16(9-5-2,10-6-3)23-15(19)13(12-14(17)18)24(20,21)22/h13H,4-12H2,1-3H3,(H,17,18)(H,20,21,22)/p-1