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

Systemtic Name: 5-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-phenylazanyl-benzenesulfonic acid Openeye Name: 5-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]-2-anilino-benzenesulfonic acid CAS Name: 5-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-anilinobenzenesulfonic acid IUPAC Name: 5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-anilinobenzenesulfonic acid Traditional Name: 5-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]-2-anilino-besylic acid Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)NC5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)NC5=CC=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C27H21N3O5S/c1-15-13-21(23-24(25(15)28)27(32)19-10-6-5-9-18(19)26(23)31)30-17-11-12-20(22(14-17)36(33,34)35)29-16-7-3-2-4-8-16/h2-14,29-30H,28H2,1H3,(H,33,34,35)