[(4aR,8aR)-1,1-dimethyl-6-oxidanylidene-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4aR,8aR)-1,1-dimethyl-6-oxidanylidene-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4aR,8aR)-1,1-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4aR,8aR)-1,1-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl ester IUPAC Name: [(4aR,8aR)-1,1-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4aR,8aR)-6-keto-1,1-dimethyl-3,4,5,8a-tetrahydro-2H-naphthalen-4a-yl]methyl ester Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC(C2C=CC(=O)C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]23CCCC([C@H]2C=CC(=O)C3)(C)C

InChI

InChI=1S/C20H26O4S/c1-15-5-8-17(9-6-15)25(22,23)24-14-20-12-4-11-19(2,3)18(20)10-7-16(21)13-20/h5-10,18H,4,11-14H2,1-3H3/t18-,20+/m1/s1