(7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl 4-methylbenzenesulfonate Openeye Name: (7-oxo-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-oxo-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl ester IUPAC Name: (7-oxo-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)methyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCCC2=CC(=O)CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCCC2=CC(=O)CC3

InChI

InChI=1S/C18H22O4S/c1-14-5-7-17(8-6-14)23(20,21)22-13-18-10-3-2-4-15(18)12-16(19)9-11-18/h5-8,12H,2-4,9-11,13H2,1H3