3-[6-oxidanylidene-6-(6-sulfobenzotriazol-1-yl)oxy-hexanoyl]oxybenzotriazole-5-sulfonic acid

Systemtic Name: 3-[6-oxidanylidene-6-(6-sulfobenzotriazol-1-yl)oxy-hexanoyl]oxybenzotriazole-5-sulfonic acid Openeye Name: 3-[6-oxo-6-(6-sulfobenzotriazol-1-yl)oxy-hexanoyl]oxybenzotriazole-5-sulfonic acid CAS Name: 3-[1,6-dioxo-6-[(6-sulfo-1-benzotriazolyl)oxy]hexoxy]-5-benzotriazolesulfonic acid IUPAC Name: 3-[6-oxo-6-(6-sulfobenzotriazol-1-yl)oxyhexanoyl]oxybenzotriazole-5-sulfonic acid Traditional Name: 3-[6-keto-6-(6-sulfobenzotriazol-1-yl)oxy-hexanoyl]oxybenzotriazole-5-sulfonic acid Formula: C18H16N6O10S2 MolecularWeight: 540.48384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)N(N=N2)OC(=O)CCCCC(=O)ON3C4=C(C=CC(=C4)S(=O)(=O)O)N=N3

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)N(N=N2)OC(=O)CCCCC(=O)ON3C4=C(C=CC(=C4)S(=O)(=O)O)N=N3

InChI

InChI=1S/C18H16N6O10S2/c25-17(33-23-15-9-11(35(27,28)29)5-7-13(15)19-21-23)3-1-2-4-18(26)34-24-16-10-12(36(30,31)32)6-8-14(16)20-22-24/h5-10H,1-4H2,(H,27,28,29)(H,30,31,32)