[(2R,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-chroman-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2R,3R)-4-keto-2-(4-methoxyphenyl)chroman-3-yl] ester Formula: C22H17NO8S MolecularWeight: 455.43728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO8S/c1-29-16-10-6-14(7-11-16)21-22(20(24)18-4-2-3-5-19(18)30-21)31-32(27,28)17-12-8-15(9-13-17)23(25)26/h2-13,21-22H,1H3/t21-,22+/m1/s1