sodium 6-oxidanylpyrene-1,4,9-trisulfonate

Systemtic Name: sodium 6-oxidanylpyrene-1,4,9-trisulfonate Openeye Name: sodium 6-hydroxypyrene-1,4,9-trisulfonate CAS Name: sodium 6-hydroxypyrene-1,4,9-trisulfonate IUPAC Name: sodium 6-hydroxypyrene-1,4,9-trisulfonate Traditional Name: sodium 6-hydroxypyrene-1,4,9-trisulfonate Formula: C16H7NaO10S3-2 MolecularWeight: 478.40555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H10O10S3.Na/c17-11-3-1-7-14(29(24,25)26)6-10-12(27(18,19)20)4-2-8-13(28(21,22)23)5-9(11)15(7)16(8)10;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);/q;+1/p-3