(2-nitrophenyl)methyl 9,10-diethoxyanthracene-2-sulfonate

Systemtic Name: (2-nitrophenyl)methyl 9,10-diethoxyanthracene-2-sulfonate Openeye Name: (2-nitrophenyl)methyl 9,10-diethoxyanthracene-2-sulfonate CAS Name: 9,10-diethoxy-2-anthracenesulfonic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 9,10-diethoxyanthracene-2-sulfonate Traditional Name: 9,10-diethoxyanthracene-2-sulfonic acid (2-nitrobenzyl) ester Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCC)S(=O)(=O)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCC)S(=O)(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

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