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

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(3-sulfonatophenyl)amino]anthracene-2-sulfonate Openeye Name: disodium 1-amino-9,10-dioxo-4-(3-sulfonatoanilino)anthracene-2-sulfonate CAS Name: disodium 1-amino-9,10-dioxo-4-(3-sulfonatoanilino)-2-anthracenesulfonate IUPAC Name: disodium 1-amino-9,10-dioxo-4-(3-sulfonatoanilino)anthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-(3-sulfonatoanilino)anthracene-2-sulfonate Formula: C20H12N2Na2O8S2 MolecularWeight: 518.42742

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H14N2O8S2.2Na/c21-18-15(32(28,29)30)9-14(22-10-4-3-5-11(8-10)31(25,26)27)16-17(18)20(24)13-7-2-1-6-12(13)19(16)23;;/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2