disodium 5-[(4-acetamidophenyl)amino]-8-azanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate

Systemtic Name: disodium 5-[(4-acetamidophenyl)amino]-8-azanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate Openeye Name: disodium 5-(4-acetamidoanilino)-8-amino-9,10-dioxo-anthracene-1,7-disulfonate CAS Name: disodium 5-(4-acetamidoanilino)-8-amino-9,10-dioxoanthracene-1,7-disulfonate IUPAC Name: disodium 5-(4-acetamidoanilino)-8-amino-9,10-dioxoanthracene-1,7-disulfonate Traditional Name: disodium 5-(4-acetamidoanilino)-8-amino-9,10-diketo-anthracene-1,7-disulfonate Formula: C22H15N3Na2O9S2 MolecularWeight: 575.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H17N3O9S2.2Na/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)21(27)13-3-2-4-15(35(29,30)31)17(13)22(19)28;;/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2