11-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]undecanoic acid

Systemtic Name: 11-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]undecanoic acid Openeye Name: 11-[[3-(benzotriazol-1-yl)-1,4-dioxo-2-naphthyl]amino]undecanoic acid CAS Name: 11-[[3-(1-benzotriazolyl)-1,4-dioxo-2-naphthalenyl]amino]undecanoic acid IUPAC Name: 11-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]undecanoic acid Traditional Name: 11-[[3-(benzotriazol-1-yl)-1,4-diketo-2-naphthyl]amino]undecanoic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NCCCCCCCCCCC(=O)O

InChI

InChI=1S/C27H30N4O4/c32-23(33)17-7-5-3-1-2-4-6-12-18-28-24-25(31-22-16-11-10-15-21(22)29-30-31)27(35)20-14-9-8-13-19(20)26(24)34/h8-11,13-16,28H,1-7,12,17-18H2,(H,32,33)