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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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