2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-6-methyl-benzenesulfonic acid

Systemtic Name: 2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-6-methyl-benzenesulfonic acid Openeye Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]-6-methyl-benzenesulfonic acid CAS Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-6-methylbenzenesulfonic acid IUPAC Name: 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid Traditional Name: 2-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]-6-methyl-besylic acid Formula: C21H15BrN2O5S MolecularWeight: 487.3232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)O

InChI

InChI=1S/C21H15BrN2O5S/c1-10-5-4-8-14(21(10)30(27,28)29)24-15-9-13(22)18(23)17-16(15)19(25)11-6-2-3-7-12(11)20(17)26/h2-9,24H,23H2,1H3,(H,27,28,29)