pyrene-1,2,3-trisulfonate

Systemtic Name: pyrene-1,2,3-trisulfonate Openeye Name: pyrene-1,2,3-trisulfonate CAS Name: pyrene-1,2,3-trisulfonate IUPAC Name: pyrene-1,2,3-trisulfonate Traditional Name: pyrene-1,2,3-trisulfonate Formula: C16H7O9S3-3 MolecularWeight: 439.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C(=C(C(=C43)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C(=C(C(=C43)C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H10O9S3/c17-26(18,19)14-10-6-4-8-2-1-3-9-5-7-11(13(10)12(8)9)15(27(20,21)22)16(14)28(23,24)25/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25)/p-3