(3-nitro-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-nitro-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-nitro-2-oxo-chromen-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-nitro-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-nitro-2-oxochromen-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-nitro-chromen-4-yl) ester Formula: C16H11NO7S MolecularWeight: 361.32604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO7S/c1-10-6-8-11(9-7-10)25(21,22)24-15-12-4-2-3-5-13(12)23-16(18)14(15)17(19)20/h2-9H,1H3