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

Systemtic Name: sodium 1-azanyl-4-[(2-ethoxyphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(2-ethoxyanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2-ethoxyanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2-ethoxyanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(o-phenetidino)anthracene-2-sulfonate Formula: C22H17N2NaO6S MolecularWeight: 460.43495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H18N2O6S.Na/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26;/h3-11,24H,2,23H2,1H3,(H,27,28,29);/q;+1/p-1