tetrasodium pyrene-1,4,6,9-tetrasulfonate

Systemtic Name: tetrasodium pyrene-1,4,6,9-tetrasulfonate Openeye Name: tetrasodium pyrene-1,4,6,9-tetrasulfonate CAS Name: tetrasodium pyrene-1,4,6,9-tetrasulfonate IUPAC Name: tetrasodium pyrene-1,4,6,9-tetrasulfonate Traditional Name: tetrasodium pyrene-1,4,6,9-tetrasulfonate Formula: C16H6Na4O12S4 MolecularWeight: 610.43072

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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-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[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-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

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