[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C25H19NO7S MolecularWeight: 477.48586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H19NO7S/c1-14-10-11-15(34(2,31)32)12-19(14)25(30)33-13-21(27)26-20-9-5-8-18-22(20)24(29)17-7-4-3-6-16(17)23(18)28/h3-12H,13H2,1-2H3,(H,26,27)