sodium 1-azanyl-4-[[3-[(4-methylphenyl)sulfonylamino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[3-[(4-methylphenyl)sulfonylamino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-[3-(p-tolylsulfonylamino)anilino]anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[3-(tosylamino)anilino]anthracene-2-sulfonate Formula: C27H20N3NaO7S2 MolecularWeight: 585.58337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H21N3O7S2.Na/c1-15-9-11-18(12-10-15)38(33,34)30-17-6-4-5-16(13-17)29-21-14-22(39(35,36)37)25(28)24-23(21)26(31)19-7-2-3-8-20(19)27(24)32;/h2-14,29-30H,28H2,1H3,(H,35,36,37);/q;+1/p-1