3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-[1-oxo-12-(1-pyrenyl)dodecoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylammonio)butyrate Formula: C35H45NO4 MolecularWeight: 543.7361

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C35H45NO4/c1-36(2,3)25-30(24-32(37)38)40-33(39)17-12-10-8-6-4-5-7-9-11-14-26-18-19-29-21-20-27-15-13-16-28-22-23-31(26)35(29)34(27)28/h13,15-16,18-23,30H,4-12,14,17,24-25H2,1-3H3