7-oxidanylideneheptyl 4-methylbenzenesulfonate

Systemtic Name: 7-oxidanylideneheptyl 4-methylbenzenesulfonate Openeye Name: 7-oxoheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7-oxoheptyl ester IUPAC Name: 7-oxoheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7-ketoheptyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC=O

InChI

InChI=1S/C14H20O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3