sodium 1-azanyl-4-(2-ethylhexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-(2-ethylhexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(2-ethylhexylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2-ethylhexylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2-ethylhexylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(2-ethylhexylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C22H25N2NaO5S MolecularWeight: 452.49907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)CNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H26N2O5S.Na/c1-3-5-8-13(4-2)12-24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-9-6-7-10-15(14)22(19)26;/h6-7,9-11,13,24H,3-5,8,12,23H2,1-2H3,(H,27,28,29);/q;+1/p-1