2-(2-hexanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanoic acid

Systemtic Name: 2-(2-hexanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanoic acid Openeye Name: 2-(2-hexanoylsulfanyl-4-oxo-azetidin-1-yl)-2-(triphenyl-$l^{5}-phosphanylidene)acetic acid CAS Name: 2-[2-oxo-4-(1-oxohexylthio)-1-azetidinyl]-2-triphenylphosphoranylideneacetic acid IUPAC Name: 2-(2-hexanoylsulfanyl-4-oxoazetidin-1-yl)-2-(triphenyl-$l^{5}-phosphanylidene)acetic acid Traditional Name: 2-[2-(caproylthio)-4-keto-azetidin-1-yl]-2-triphenylphosphoranylidene-acetic acid Formula: C29H30NO4PS MolecularWeight: 519.591561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SC1CC(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCC(=O)SC1CC(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H30NO4PS/c1-2-3-7-20-27(32)36-26-21-25(31)30(26)28(29(33)34)35(22-14-8-4-9-15-22,23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-6,8-19,26H,2-3,7,20-21H2,1H3,(H,33,34)