trisodium 8-oxidanyl-7-prop-2-enyl-pyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 8-oxidanyl-7-prop-2-enyl-pyrene-1,3,6-trisulfonate Openeye Name: trisodium 7-allyl-8-hydroxy-pyrene-1,3,6-trisulfonate CAS Name: trisodium 8-hydroxy-7-prop-2-enylpyrene-1,3,6-trisulfonate IUPAC Name: trisodium 8-hydroxy-7-prop-2-enylpyrene-1,3,6-trisulfonate Traditional Name: trisodium 7-allyl-8-hydroxy-pyrene-1,3,6-trisulfonate Formula: C19H11Na3O10S3 MolecularWeight: 564.44895

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C2=C3C(=C1S(=O)(=O)[O-])C=CC4=C(C=C(C(=C43)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C=CCC1=C(C2=C3C(=C1S(=O)(=O)[O-])C=CC4=C(C=C(C(=C43)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H14O10S3.3Na/c1-2-3-13-18(20)11-6-4-9-14(30(21,22)23)8-15(31(24,25)26)10-5-7-12(17(11)16(9)10)19(13)32(27,28)29;;;/h2,4-8,20H,1,3H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3