4-dodecan-4-yloxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-dodecan-4-yloxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-oxo-4-(1-propylnonoxy)-3-sulfo-butanoic acid CAS Name: 4-dodecan-4-yloxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-dodecan-4-yloxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-(1-propylnonoxy)-3-sulfo-butyric acid Formula: C16H30O7S MolecularWeight: 366.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H30O7S/c1-3-5-6-7-8-9-11-13(10-4-2)23-16(19)14(12-15(17)18)24(20,21)22/h13-14H,3-12H2,1-2H3,(H,17,18)(H,20,21,22)