12-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfonyldodecanoic acid

Systemtic Name: 12-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfonyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfonyldodecanoic acid CAS Name: 12-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfonyldodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfonyldodecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-butoxy)phenyl]sulfonyllauric acid Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(=O)O)S(=O)(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(=O)O)S(=O)(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34O7S/c23-21(24)15-8-6-4-2-1-3-5-7-11-18-30(27,28)20-14-10-9-13-19(20)29-17-12-16-22(25)26/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)