4-(aminomethylamino)-1-azanyl-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid

Systemtic Name: 4-(aminomethylamino)-1-azanyl-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid Openeye Name: 1-amino-4-(aminomethylamino)-9,10-dioxo-anthracene-2,7-disulfonic acid CAS Name: 1-amino-4-(aminomethylamino)-9,10-dioxoanthracene-2,7-disulfonic acid IUPAC Name: 1-amino-4-(aminomethylamino)-9,10-dioxoanthracene-2,7-disulfonic acid Traditional Name: 1-amino-4-(aminomethylamino)-9,10-diketo-anthracene-2,7-disulfonic acid Formula: C15H13N3O8S2 MolecularWeight: 427.40902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)O)NCN

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)O)NCN

InChI

InChI=1S/C15H13N3O8S2/c16-5-18-9-4-10(28(24,25)26)13(17)12-11(9)14(19)7-2-1-6(27(21,22)23)3-8(7)15(12)20/h1-4,18H,5,16-17H2,(H,21,22,23)(H,24,25,26)