disodium 8-[(4-acetamidophenyl)amino]-5-azanyl-anthracene-1,6-disulfonate

Systemtic Name: disodium 8-[(4-acetamidophenyl)amino]-5-azanyl-anthracene-1,6-disulfonate Openeye Name: disodium 8-(4-acetamidoanilino)-5-amino-anthracene-1,6-disulfonate CAS Name: disodium 8-(4-acetamidoanilino)-5-aminoanthracene-1,6-disulfonate IUPAC Name: disodium 8-(4-acetamidoanilino)-5-aminoanthracene-1,6-disulfonate Traditional Name: disodium 8-(4-acetamidoanilino)-5-amino-anthracene-1,6-disulfonate Formula: C22H17N3Na2O7S2 MolecularWeight: 545.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C=C4C(=C3)C=CC=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C=C4C(=C3)C=CC=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H19N3O7S2.2Na/c1-12(26)24-14-5-7-15(8-6-14)25-19-11-21(34(30,31)32)22(23)18-9-13-3-2-4-20(33(27,28)29)16(13)10-17(18)19;;/h2-11,25H,23H2,1H3,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2