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

Systemtic Name: 4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-3-methyl-benzenesulfonic acid Openeye Name: 4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]-3-methyl-benzenesulfonic acid CAS Name: 4-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-3-methylbenzenesulfonic acid IUPAC Name: 4-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-3-methylbenzenesulfonic acid Traditional Name: 4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]-3-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)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Isomeric SMILES

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

InChI

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