2-oxidanylidenehexadecyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylidenehexadecyl 4-methylbenzenesulfonate Openeye Name: 2-oxohexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-oxohexadecyl ester IUPAC Name: 2-oxohexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ketohexadecyl ester Formula: C23H38O4S MolecularWeight: 410.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C23H38O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)20-27-28(25,26)23-18-16-21(2)17-19-23/h16-19H,3-15,20H2,1-2H3