2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylethanesulfonic acid

Systemtic Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylethanesulfonic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanylethanesulfonic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]ethanesulfonic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanylethanesulfonic acid Traditional Name: 2-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]ethanesulfonic acid Formula: C23H38O5S2 MolecularWeight: 458.67482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCS(=O)(=O)O

InChI

InChI=1S/C23H38O5S2/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)22(23(24)28-2)29-18-19-30(25,26)27/h13-14,16-17,22H,3-12,15,18-19H2,1-2H3,(H,25,26,27)