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

Systemtic Name: (4-nitrophenyl)methyl 9,10-dipropoxyanthracene-2-sulfonate Openeye Name: (4-nitrophenyl)methyl 9,10-dipropoxyanthracene-2-sulfonate CAS Name: 9,10-dipropoxy-2-anthracenesulfonic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 9,10-dipropoxyanthracene-2-sulfonate Traditional Name: 9,10-dipropoxyanthracene-2-sulfonic acid (4-nitrobenzyl) ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCC)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCC)S(=O)(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27NO7S/c1-3-15-33-26-22-7-5-6-8-23(22)27(34-16-4-2)25-17-21(13-14-24(25)26)36(31,32)35-18-19-9-11-20(12-10-19)28(29)30/h5-14,17H,3-4,15-16,18H2,1-2H3