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

Systemtic Name: 3-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-4-methyl-benzenesulfonic acid Openeye Name: 3-amino-5-[(4-amino-9,10-dioxo-1-anthryl)amino]-4-methyl-benzenesulfonic acid CAS Name: 3-amino-5-[(4-amino-9,10-dioxo-1-anthracenyl)amino]-4-methylbenzenesulfonic acid IUPAC Name: 3-amino-5-[(4-amino-9,10-dioxoanthracen-1-yl)amino]-4-methylbenzenesulfonic acid Traditional Name: 3-amino-5-[(4-amino-9,10-diketo-1-anthryl)amino]-4-methyl-besylic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O5S/c1-10-15(23)8-11(30(27,28)29)9-17(10)24-16-7-6-14(22)18-19(16)21(26)13-5-3-2-4-12(13)20(18)25/h2-9,24H,22-23H2,1H3,(H,27,28,29)