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

Systemtic Name: sodium 1-azanyl-4-[[4-(methylaminomethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[4-(methylaminomethyl)anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[4-(methylaminomethyl)anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[4-(methylaminomethyl)anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[4-(methylaminomethyl)anilino]anthracene-2-sulfonate Formula: C22H18N3NaO5S MolecularWeight: 459.45019

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CNCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H19N3O5S.Na/c1-24-11-12-6-8-13(9-7-12)25-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27;/h2-10,24-25H,11,23H2,1H3,(H,28,29,30);/q;+1/p-1