8-cyanooctyl 4-methylbenzenesulfonate

Systemtic Name: 8-cyanooctyl 4-methylbenzenesulfonate Openeye Name: 8-cyanooctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-cyanooctyl ester IUPAC Name: 8-cyanooctyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-cyanooctyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC#N

InChI

InChI=1S/C16H23NO3S/c1-15-9-11-16(12-10-15)21(18,19)20-14-8-6-4-2-3-5-7-13-17/h9-12H,2-8,14H2,1H3