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

Systemtic Name: 5-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-methyl-benzenesulfonic acid Openeye Name: 5-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]-2-methyl-benzenesulfonic acid CAS Name: 5-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-methylbenzenesulfonic acid IUPAC Name: 5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-methylbenzenesulfonic acid Traditional Name: 5-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]-2-methyl-besylic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-11-7-8-13(10-17(11)30(27,28)29)24-16-9-12(2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)