(2-oxidanylidenechromen-7-yl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-oxochromen-7-yl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (2-ketochromen-7-yl) ester Formula: C16H11NO7S MolecularWeight: 361.32604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

InChI

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