4-hexacosan-13-yloxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-hexacosan-13-yloxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1-dodecyltetradecoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-hexacosan-13-yloxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-hexacosan-13-yloxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-(1-lauryltetradecoxy)-3-sulfo-butyric acid Formula: C30H58O7S MolecularWeight: 562.84232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H58O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(24-22-20-18-16-14-12-10-8-6-4-2)37-30(33)28(26-29(31)32)38(34,35)36/h27-28H,3-26H2,1-2H3,(H,31,32)(H,34,35,36)