4,5-bis(oxidaniumyl)naphthalene-2,7-disulfonate; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; zirconium

Systemtic Name: 4,5-bis(oxidaniumyl)naphthalene-2,7-disulfonate; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; zirconium Openeye Name: 4,5-dioxonionaphthalene-2,7-disulfonate; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; zirconium CAS Name: 4,5-dioxonionaphthalene-2,7-disulfonate; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; zirconium IUPAC Name: 4,5-dioxonionaphthalene-2,7-disulfonate; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; zirconium Traditional Name: 4,5-dioxonionaphthalene-2,7-disulfonate; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; zirconium Formula: C30H30O12S2Zr+2 MolecularWeight: 737.906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[OH2+])[OH2+])S(=O)(=O)[O-].[Zr]

Isomeric SMILES

C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C1=C2C(=C(C=C1S(=O)(=O)[O-])[OH2+])C(=CC(=C2)S(=O)(=O)[O-])[OH2+].[Zr]

InChI

InChI=1S/C10H8O8S2.2C10H10O2.Zr/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);2*2-7,11H,1H3;/p+2/b;2*8-7-;