8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate

Systemtic Name: 8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate Openeye Name: 8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate CAS Name: 8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate IUPAC Name: 8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate Traditional Name: 8-(carboxymethyloxy)pyrene-1,3,6-trisulfonate Formula: C18H9O12S3-3 MolecularWeight: 513.45186

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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)OCC(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)OCC(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C18H12O12S3/c19-16(20)7-30-12-5-13(31(21,22)23)9-3-4-11-15(33(27,28)29)6-14(32(24,25)26)10-2-1-8(12)17(9)18(10)11/h1-6H,7H2,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)/p-3