(8,9-dimethoxybenzo[c]phenanthridin-3-yl) benzenesulfonate

Systemtic Name: (8,9-dimethoxybenzo[c]phenanthridin-3-yl) benzenesulfonate Openeye Name: (8,9-dimethoxybenzo[c]phenanthridin-3-yl) benzenesulfonate CAS Name: benzenesulfonic acid (8,9-dimethoxy-3-benzo[c]phenanthridinyl) ester IUPAC Name: (8,9-dimethoxybenzo[c]phenanthridin-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (8,9-dimethoxybenzo[c]phenanthridin-3-yl) ester Formula: C25H19NO5S MolecularWeight: 445.48706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OS(=O)(=O)C5=CC=CC=C5)C=C3)N=CC2=C1)OC

Isomeric SMILES

COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OS(=O)(=O)C5=CC=CC=C5)C=C3)N=CC2=C1)OC

InChI

InChI=1S/C25H19NO5S/c1-29-23-12-17-15-26-25-20(21(17)14-24(23)30-2)11-9-16-8-10-18(13-22(16)25)31-32(27,28)19-6-4-3-5-7-19/h3-15H,1-2H3