[(2S,3S)-3-[(2-methylcyclohexen-1-yl)methyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-3-[(2-methylcyclohexen-1-yl)methyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-[(2-methylcyclohexen-1-yl)methyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-[(2-methyl-1-cyclohexenyl)methyl]-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-3-[(2-methylcyclohexen-1-yl)methyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-[(2-methylcyclohexen-1-yl)methyl]oxiran-2-yl]methyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1)CC2C(O2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=C(CCCC1)C[C@H]2[C@@H](O2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H24O4S/c1-13-7-9-16(10-8-13)23(19,20)21-12-18-17(22-18)11-15-6-4-3-5-14(15)2/h7-10,17-18H,3-6,11-12H2,1-2H3/t17-,18-/m0/s1