5-(3-oxidanylidenecyclohexen-1-yl)pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-(3-oxidanylidenecyclohexen-1-yl)pentyl 4-methylbenzenesulfonate Openeye Name: 5-(3-oxocyclohexen-1-yl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(3-oxo-1-cyclohexenyl)pentyl ester IUPAC Name: 5-(3-oxocyclohexen-1-yl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(3-ketocyclohexen-1-yl)pentyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=CC(=O)CCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=CC(=O)CCC2

InChI

InChI=1S/C18H24O4S/c1-15-9-11-18(12-10-15)23(20,21)22-13-4-2-3-6-16-7-5-8-17(19)14-16/h9-12,14H,2-8,13H2,1H3