9,10-diethoxy-2-[(4-nitrophenyl)methyl]anthracene-1-sulfonate

Systemtic Name: 9,10-diethoxy-2-[(4-nitrophenyl)methyl]anthracene-1-sulfonate Openeye Name: 9,10-diethoxy-2-[(4-nitrophenyl)methyl]anthracene-1-sulfonate CAS Name: 9,10-diethoxy-2-[(4-nitrophenyl)methyl]-1-anthracenesulfonate IUPAC Name: 9,10-diethoxy-2-[(4-nitrophenyl)methyl]anthracene-1-sulfonate Traditional Name: 9,10-diethoxy-2-(4-nitrobenzyl)anthracene-1-sulfonate Formula: C25H22NO7S- MolecularWeight: 480.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC(=C(C2=C(C3=CC=CC=C31)OCC)S(=O)(=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C=CC(=C(C2=C(C3=CC=CC=C31)OCC)S(=O)(=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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