(5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) 4-methylbenzenesulfonate Openeye Name: (5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) ester IUPAC Name: (5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl) ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3C2CC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3C2CC(=O)C3

InChI

InChI=1S/C15H18O4S/c1-10-2-5-13(6-3-10)20(17,18)19-15-7-4-11-8-12(16)9-14(11)15/h2-3,5-6,11,14-15H,4,7-9H2,1H3