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

Systemtic Name: sodium 5-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-phenylazanyl-benzenesulfonate Openeye Name: sodium 5-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]-2-anilino-benzenesulfonate CAS Name: sodium 5-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-anilinobenzenesulfonate IUPAC Name: sodium 5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-anilinobenzenesulfonate Traditional Name: sodium 5-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]-2-anilino-besylate Formula: C27H20N3NaO5S MolecularWeight: 521.51957

Click to see the large picture

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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C27H21N3O5S.Na/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);/q;+1/p-1