[(1R,8aR)-8a-methyl-6-oxidanylidene-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,8aR)-8a-methyl-6-oxidanylidene-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,8aR)-8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,8aR)-8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1R,8aR)-8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,8aR)-6-keto-8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC3=CC(=O)CCC23C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCCC3=CC(=O)CC[C@@]23C

InChI

InChI=1S/C18H22O4S/c1-13-6-8-16(9-7-13)23(20,21)22-17-5-3-4-14-12-15(19)10-11-18(14,17)2/h6-9,12,17H,3-5,10-11H2,1-2H3/t17-,18-/m1/s1