6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalene-1-sulfonic acid

Systemtic Name: 6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalene-1-sulfonic acid Openeye Name: 6,7-bis(aziridin-1-yl)-5,8-dioxo-naphthalene-1-sulfonic acid CAS Name: 6,7-bis(1-aziridinyl)-5,8-dioxo-1-naphthalenesulfonic acid IUPAC Name: 6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalene-1-sulfonic acid Traditional Name: 6,7-diethylenimino-5,8-diketo-naphthalene-1-sulfonic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)O)N4CC4

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)O)N4CC4

InChI

InChI=1S/C14H12N2O5S/c17-13-8-2-1-3-9(22(19,20)21)10(8)14(18)12(16-6-7-16)11(13)15-4-5-15/h1-3H,4-7H2,(H,19,20,21)