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

Systemtic Name: sodium 1-azanyl-4-[2-(4-chlorophenyl)ethylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[2-(4-chlorophenyl)ethylamino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[2-(4-chlorophenyl)ethylamino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[2-(4-chlorophenyl)ethylamino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[2-(4-chlorophenyl)ethylamino]-9,10-diketo-anthracene-2-sulfonate Formula: C22H16ClN2NaO5S MolecularWeight: 478.88061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H17ClN2O5S.Na/c23-13-7-5-12(6-8-13)9-10-25-16-11-17(31(28,29)30)20(24)19-18(16)21(26)14-3-1-2-4-15(14)22(19)27;/h1-8,11,25H,9-10,24H2,(H,28,29,30);/q;+1/p-1