2,3-diethoxy-4-[(4-nitrophenyl)methyl]anthracene-1-sulfonate

Systemtic Name: 2,3-diethoxy-4-[(4-nitrophenyl)methyl]anthracene-1-sulfonate Openeye Name: 2,3-diethoxy-4-[(4-nitrophenyl)methyl]anthracene-1-sulfonate CAS Name: 2,3-diethoxy-4-[(4-nitrophenyl)methyl]-1-anthracenesulfonate IUPAC Name: 2,3-diethoxy-4-[(4-nitrophenyl)methyl]anthracene-1-sulfonate Traditional Name: 2,3-diethoxy-4-(4-nitrobenzyl)anthracene-1-sulfonate Formula: C25H22NO7S- MolecularWeight: 480.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC3=CC=CC=C3C=C2C(=C1OCC)S(=O)(=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C2=CC3=CC=CC=C3C=C2C(=C1OCC)S(=O)(=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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