8-(2-azido-2-oxidanylidene-ethoxy)pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-(2-azido-2-oxidanylidene-ethoxy)pyrene-1,3,6-trisulfonic acid Openeye Name: 8-(2-azido-2-oxo-ethoxy)pyrene-1,3,6-trisulfonic acid CAS Name: 8-(2-azido-2-oxoethoxy)pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-(2-azido-2-oxoethoxy)pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(2-azido-2-keto-ethoxy)pyrene-1,3,6-trisulfonic acid Formula: C18H11N3O11S3 MolecularWeight: 541.48844

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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)N=[N+]=[N-])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)N=[N+]=[N-])S(=O)(=O)O

InChI

InChI=1S/C18H11N3O11S3/c19-21-20-16(22)7-32-12-5-13(33(23,24)25)9-3-4-11-15(35(29,30)31)6-14(34(26,27)28)10-2-1-8(12)17(9)18(10)11/h1-6H,7H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)