5-(5-oxidanylidenecyclohex-3-en-1-yl)pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-(5-oxidanylidenecyclohex-3-en-1-yl)pentyl 4-methylbenzenesulfonate Openeye Name: 5-(5-oxocyclohex-3-en-1-yl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(5-oxo-1-cyclohex-3-enyl)pentyl ester IUPAC Name: 5-(5-oxocyclohex-3-en-1-yl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(5-ketocyclohex-3-en-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)OCCCCCC2CC=CC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2CC=CC(=O)C2

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/h5,8-12,16H,2-4,6-7,13-14H2,1H3