3-(6-heptoxynaphthalen-2-yl)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one

Systemtic Name: 3-(6-heptoxynaphthalen-2-yl)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one Openeye Name: 3-(6-heptoxy-2-naphthyl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one CAS Name: 3-(6-heptoxy-2-naphthalenyl)-1-(3-oxido-1-benzotriazol-3-iumyl)-1-propanone IUPAC Name: 3-(6-heptoxynaphthalen-2-yl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Traditional Name: 3-(6-heptoxy-2-naphthyl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C26H29N3O3/c1-2-3-4-5-8-17-32-23-15-14-21-18-20(11-13-22(21)19-23)12-16-26(30)28-24-9-6-7-10-25(24)29(31)27-28/h6-7,9-11,13-15,18-19H,2-5,8,12,16-17H2,1H3