(12-chloranyl-12-oxidanylidene-dodecyl) 4-methylbenzenesulfonate

Systemtic Name: (12-chloranyl-12-oxidanylidene-dodecyl) 4-methylbenzenesulfonate Openeye Name: (12-chloro-12-oxo-dodecyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (12-chloro-12-oxododecyl) ester IUPAC Name: (12-chloro-12-oxododecyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (12-chloro-12-keto-dodecyl) ester Formula: C19H29ClO4S MolecularWeight: 388.94916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCC(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C19H29ClO4S/c1-17-12-14-18(15-13-17)25(22,23)24-16-10-8-6-4-2-3-5-7-9-11-19(20)21/h12-15H,2-11,16H2,1H3