1-azidoethanone; pyrene-1,2,3-trisulfonic acid

Systemtic Name: 1-azidoethanone; pyrene-1,2,3-trisulfonic acid Openeye Name: acetyl azide; pyrene-1,2,3-trisulfonic acid CAS Name: 1-azidoethanone; pyrene-1,2,3-trisulfonic acid IUPAC Name: acetyl azide; pyrene-1,2,3-trisulfonic acid Traditional Name: 1-azidoethanone; pyrene-1,2,3-trisulfonic acid Formula: C18H13N3O10S3 MolecularWeight: 527.50492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=[N+]=[N-].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

CC(=O)N=[N+]=[N-].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.C2H3N3O/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;1-2(6)4-5-3/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25);1H3