disodium 1-azanyl-4-[(4-chloranyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[(4-chloranyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(4-chloro-3-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(4-chloro-3-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(4-chloro-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-(4-chloro-3-sulfonato-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C20H11ClN2Na2O8S2 MolecularWeight: 552.87248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C20H13ClN2O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2