sodium 3-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-chloranyl-benzenesulfonate

Systemtic Name: sodium 3-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-chloranyl-benzenesulfonate Openeye Name: sodium 3-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]-2-chloro-benzenesulfonate CAS Name: sodium 3-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-chlorobenzenesulfonate IUPAC Name: sodium 3-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-chlorobenzenesulfonate Traditional Name: sodium 3-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]-2-chloro-besylate Formula: C21H14ClN2NaO5S MolecularWeight: 464.85403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=C(C(=CC=C4)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=C(C(=CC=C4)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C21H15ClN2O5S.Na/c1-10-9-14(24-13-7-4-8-15(18(13)22)30(27,28)29)16-17(19(10)23)21(26)12-6-3-2-5-11(12)20(16)25;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1