[1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxido-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxidobenzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[2-[8-(2-ethoxyethoxy)octoxy]phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone Formula: C31H37N3O5 MolecularWeight: 531.64258

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCCCCCCCCOC1=CC=CC=C1N2C3=CC=CC(=C3[N+](=N2)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOCCOCCCCCCCCOC1=CC=CC=C1N2C3=CC=CC(=C3[N+](=N2)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37N3O5/c1-2-37-23-24-38-21-12-5-3-4-6-13-22-39-29-20-11-10-18-27(29)33-28-19-14-17-26(30(28)34(36)32-33)31(35)25-15-8-7-9-16-25/h7-11,14-20H,2-6,12-13,21-24H2,1H3