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

Systemtic Name: (2-nitrophenyl)methyl 9,10-dibutoxyanthracene-2-sulfonate Openeye Name: (2-nitrophenyl)methyl 9,10-dibutoxyanthracene-2-sulfonate CAS Name: 9,10-dibutoxy-2-anthracenesulfonic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 9,10-dibutoxyanthracene-2-sulfonate Traditional Name: 9,10-dibutoxyanthracene-2-sulfonic acid (2-nitrobenzyl) ester Formula: C29H31NO7S MolecularWeight: 537.62394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C29H31NO7S/c1-3-5-17-35-28-23-12-8-9-13-24(23)29(36-18-6-4-2)26-19-22(15-16-25(26)28)38(33,34)37-20-21-11-7-10-14-27(21)30(31)32/h7-16,19H,3-6,17-18,20H2,1-2H3