3,4-bis(oxidanyl)benzene-1,2-disulfonate; neodymium(3+)

Systemtic Name: 3,4-bis(oxidanyl)benzene-1,2-disulfonate; neodymium(3+) Openeye Name: 3,4-dihydroxybenzene-1,2-disulfonate; neodymium(3+) CAS Name: 3,4-dihydroxybenzene-1,2-disulfonate; neodymium(3+) IUPAC Name: 3,4-dihydroxybenzene-1,2-disulfonate; neodymium(3+) Traditional Name: 3,4-dihydroxybenzene-1,2-disulfonate; neodymium(3+) Formula: C18H12Nd2O24S6 MolecularWeight: 1093.14348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Nd+3].[Nd+3]

Isomeric SMILES

C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Nd+3].[Nd+3]

InChI

InChI=1S/3C6H6O8S2.2Nd/c3*7-3-1-2-4(15(9,10)11)6(5(3)8)16(12,13)14;;/h3*1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;;;2*+3/p-6