2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methyl-benzenesulfonic acid

Systemtic Name: 2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methyl-benzenesulfonic acid Openeye Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]-5-methyl-benzenesulfonic acid CAS Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonic acid IUPAC Name: 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]-5-methyl-besylic acid Formula: C21H15BrN2O5S MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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