[(7S)-7-acetamido-1,2,3-trimethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-9-yl] methanesulfonate

Systemtic Name: [(7S)-7-acetamido-1,2,3-trimethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-9-yl] methanesulfonate Openeye Name: [(7S)-7-acetamido-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-9-yl] methanesulfonate CAS Name: methanesulfonic acid [(7S)-7-acetamido-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-9-yl] ester IUPAC Name: [(7S)-7-acetamido-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-9-yl] methanesulfonate Traditional Name: methanesulfonic acid [(7S)-7-acetamido-10-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-yl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OS(=O)(=O)C)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OS(=O)(=O)C)OC)OC)OC

InChI

InChI=1S/C22H25NO8S/c1-12(24)23-16-8-6-13-10-19(28-2)21(29-3)22(30-4)20(13)14-7-9-17(25)18(11-15(14)16)31-32(5,26)27/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1