(4-nitrophenyl)methyl 9,10-dimethylanthracene-2-sulfonate

Systemtic Name: (4-nitrophenyl)methyl 9,10-dimethylanthracene-2-sulfonate Openeye Name: (4-nitrophenyl)methyl 9,10-dimethylanthracene-2-sulfonate CAS Name: 9,10-dimethyl-2-anthracenesulfonic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 9,10-dimethylanthracene-2-sulfonate Traditional Name: 9,10-dimethylanthracene-2-sulfonic acid (4-nitrobenzyl) ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C3=CC=CC=C13)C)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C3=CC=CC=C13)C)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO5S/c1-15-20-5-3-4-6-21(20)16(2)23-13-19(11-12-22(15)23)30(27,28)29-14-17-7-9-18(10-8-17)24(25)26/h3-13H,14H2,1-2H3