copper 4-oxidaniumylidene-3-oxidaniumylimino-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: copper 4-oxidaniumylidene-3-oxidaniumylimino-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: copper 5-hydroxy-3-oxonioimino-4-oxoniumylidene-naphthalene-2,7-disulfonate CAS Name: copper 5-hydroxy-3-oxonioimino-4-oxoniumylidenenaphthalene-2,7-disulfonate IUPAC Name: copper 5-hydroxy-3-oxonioimino-4-oxoniumylidenenaphthalene-2,7-disulfonate Traditional Name: cupric 5-hydroxy-3-oxonioimino-4-oxoniumylidene-naphthalene-2,7-disulfonate Formula: C20H14CuN2O18S4+2 MolecularWeight: 762.13376

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=N[OH2+])C(=[OH+])C2=C(C=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-].C1=C2C=C(C(=N[OH2+])C(=[OH+])C2=C(C=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

C1=C2C=C(C(=N[OH2+])C(=[OH+])C2=C(C=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-].C1=C2C=C(C(=N[OH2+])C(=[OH+])C2=C(C=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/2C10H7NO9S2.Cu/c2*12-6-3-5(21(15,16)17)1-4-2-7(22(18,19)20)9(11-14)10(13)8(4)6;/h2*1-3,12,14H,(H,15,16,17)(H,18,19,20);/q;;+2