3-[9-(6-carboxybenzotriazol-1-yl)oxy-9-oxidanylidene-nonanoyl]oxybenzotriazole-5-carboxylic acid

Systemtic Name: 3-[9-(6-carboxybenzotriazol-1-yl)oxy-9-oxidanylidene-nonanoyl]oxybenzotriazole-5-carboxylic acid Openeye Name: 3-[9-(6-carboxybenzotriazol-1-yl)oxy-9-oxo-nonanoyl]oxybenzotriazole-5-carboxylic acid CAS Name: 3-[9-[(6-carboxy-1-benzotriazolyl)oxy]-1,9-dioxononoxy]-5-benzotriazolecarboxylic acid IUPAC Name: 3-[9-(6-carboxybenzotriazol-1-yl)oxy-9-oxononanoyl]oxybenzotriazole-5-carboxylic acid Traditional Name: 3-[9-(6-carboxybenzotriazol-1-yl)oxy-9-keto-nonanoyl]oxybenzotriazole-5-carboxylic acid Formula: C23H22N6O8 MolecularWeight: 510.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N(N=N2)OC(=O)CCCCCCCC(=O)ON3C4=C(C=CC(=C4)C(=O)O)N=N3

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N(N=N2)OC(=O)CCCCCCCC(=O)ON3C4=C(C=CC(=C4)C(=O)O)N=N3

InChI

InChI=1S/C23H22N6O8/c30-20(36-28-18-12-14(22(32)33)8-10-16(18)24-26-28)6-4-2-1-3-5-7-21(31)37-29-19-13-15(23(34)35)9-11-17(19)25-27-29/h8-13H,1-7H2,(H,32,33)(H,34,35)