[4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl] methanesulfonate

Systemtic Name: [4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl] methanesulfonate Openeye Name: [4-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl] ester IUPAC Name: [4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl] ester Formula: C21H15NO6S MolecularWeight: 409.4119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3