(2-oxidanylidenechromen-7-yl) 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (2-oxochromen-7-yl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (2-ketochromen-7-yl) ester Formula: C16H11NO8S MolecularWeight: 377.32544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C16H11NO8S/c1-23-14-8-11(17(19)20)4-6-15(14)26(21,22)25-12-5-2-10-3-7-16(18)24-13(10)9-12/h2-9H,1H3