(6-decoxynaphthalen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (6-decoxynaphthalen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (6-decoxy-2-naphthyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (6-decoxy-2-naphthalenyl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (6-decoxynaphthalen-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (6-decoxy-2-naphthyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C27H31N3O3/c1-2-3-4-5-6-7-8-11-18-33-24-17-16-21-19-23(15-14-22(21)20-24)27(31)29-25-12-9-10-13-26(25)30(32)28-29/h9-10,12-17,19-20H,2-8,11,18H2,1H3