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

Systemtic Name: sodium 4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-3-methyl-benzenesulfonate Openeye Name: sodium 4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]-3-methyl-benzenesulfonate CAS Name: sodium 4-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-3-methylbenzenesulfonate IUPAC Name: sodium 4-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-3-methylbenzenesulfonate Traditional Name: sodium 4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]-3-methyl-besylate Formula: C21H14BrN2NaO5S MolecularWeight: 509.30503

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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.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br.[Na+]

InChI

InChI=1S/C21H15BrN2O5S.Na/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);/q;+1/p-1