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

Systemtic Name: [(6aS,10aS)-6a-cyano-9-methyl-6-oxidanylidene-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate Openeye Name: [(6aS,10aS)-6a-cyano-9-methyl-6-oxo-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate CAS Name: methanesulfonic acid [(6aS,10aS)-6a-cyano-9-methyl-6-oxo-10,10a-dihydro-7H-benzo[c][1]benzopyran-2-yl] ester IUPAC Name: [(6aS,10aS)-6a-cyano-9-methyl-6-oxo-10,10a-dihydro-7H-benzo[c]chromen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(6aS,10aS)-6a-cyano-6-keto-9-methyl-10,10a-dihydro-7H-benzo[c]chromen-2-yl] ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C(C1)C3=C(C=CC(=C3)OS(=O)(=O)C)OC2=O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-10-5-6-16(9-17)13(7-10)12-8-11(22-23(2,19)20)3-4-14(12)21-15(16)18/h3-5,8,13H,6-7H2,1-2H3/t13-,16+/m0/s1