[(6aS,10aS)-6a-cyano-8,9-dimethyl-6-oxidanylidene-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate

Systemtic Name: [(6aS,10aS)-6a-cyano-8,9-dimethyl-6-oxidanylidene-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate Openeye Name: [(6aS,10aS)-6a-cyano-8,9-dimethyl-6-oxo-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate CAS Name: methanesulfonic acid [(6aS,10aS)-6a-cyano-8,9-dimethyl-6-oxo-10,10a-dihydro-7H-benzo[c][1]benzopyran-2-yl] ester IUPAC Name: [(6aS,10aS)-6a-cyano-8,9-dimethyl-6-oxo-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(6aS,10aS)-6a-cyano-6-keto-8,9-dimethyl-10,10a-dihydro-7H-benzo[c]chromen-2-yl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C(C1)C3=C(C=CC(=C3)OS(=O)(=O)C)OC2=O)C#N)C

Isomeric SMILES

CC1=C(C[C@]2([C@@H](C1)C3=C(C=CC(=C3)OS(=O)(=O)C)OC2=O)C#N)C

InChI

InChI=1S/C17H17NO5S/c1-10-6-14-13-7-12(23-24(3,20)21)4-5-15(13)22-16(19)17(14,9-18)8-11(10)2/h4-5,7,14H,6,8H2,1-3H3/t14-,17+/m0/s1