tetrasodium pyrene-1,3,6,8-tetrasulfonate

Systemtic Name: tetrasodium pyrene-1,3,6,8-tetrasulfonate Openeye Name: tetrasodium pyrene-1,3,6,8-tetrasulfonate CAS Name: tetrasodium pyrene-1,3,6,8-tetrasulfonate IUPAC Name: tetrasodium pyrene-1,3,6,8-tetrasulfonate Traditional Name: tetrasodium pyrene-1,3,6,8-tetrasulfonate Formula: C16H6Na4O12S4 MolecularWeight: 610.43072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

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