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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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