(4-nitrophenyl)methyl 9,10-diethoxyanthracene-1-sulfonate

Systemtic Name: (4-nitrophenyl)methyl 9,10-diethoxyanthracene-1-sulfonate Openeye Name: (4-nitrophenyl)methyl 9,10-diethoxyanthracene-1-sulfonate CAS Name: 9,10-diethoxy-1-anthracenesulfonic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 9,10-diethoxyanthracene-1-sulfonate Traditional Name: 9,10-diethoxyanthracene-1-sulfonic acid (4-nitrobenzyl) 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)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCC)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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