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

Systemtic Name: 3-methyl-5-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 3-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]-5-methyl-benzenesulfonic acid CAS Name: 3-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonic acid IUPAC Name: 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid Traditional Name: 3-[(4-hydroxy-9,10-diketo-1-anthryl)amino]-5-methyl-besylic acid Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)O)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)O)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO6S/c1-11-8-12(10-13(9-11)29(26,27)28)22-16-6-7-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-10,22-23H,1H3,(H,26,27,28)