sodium pyrene-1,2,3,4-tetrasulfonate

Systemtic Name: sodium pyrene-1,2,3,4-tetrasulfonate Openeye Name: sodium pyrene-1,2,3,4-tetrasulfonate CAS Name: sodium pyrene-1,2,3,4-tetrasulfonate IUPAC Name: sodium pyrene-1,2,3,4-tetrasulfonate Traditional Name: sodium pyrene-1,2,3,4-tetrasulfonate Formula: C16H6NaO12S4-3 MolecularWeight: 541.46141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=C(C(=C(C(=C34)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=C(C(=C(C(=C34)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H10O12S4.Na/c17-29(18,19)10-6-8-3-1-2-7-4-5-9-12(11(7)8)13(10)15(31(23,24)25)16(32(26,27)28)14(9)30(20,21)22;/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28);/q;+1/p-4