(9,10-diethoxyanthracen-1-yl)methyl 4-nitrobenzenesulfonate

Systemtic Name: (9,10-diethoxyanthracen-1-yl)methyl 4-nitrobenzenesulfonate Openeye Name: (9,10-diethoxy-1-anthryl)methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (9,10-diethoxy-1-anthracenyl)methyl ester IUPAC Name: (9,10-diethoxyanthracen-1-yl)methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (9,10-diethoxy-1-anthryl)methyl ester Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCC)COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCC)COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23NO7S/c1-3-31-24-20-9-5-6-10-21(20)25(32-4-2)23-17(8-7-11-22(23)24)16-33-34(29,30)19-14-12-18(13-15-19)26(27)28/h5-15H,3-4,16H2,1-2H3