tert-butyl 5-(1,3-dithian-2-yl)-4-methyl-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)pentanoate

Systemtic Name: tert-butyl 5-(1,3-dithian-2-yl)-4-methyl-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)pentanoate Openeye Name: tert-butyl 5-(1,3-dithian-2-yl)-4-methyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)pentanoate CAS Name: 5-(1,3-dithian-2-yl)-4-methyl-3-oxo-2-triphenylphosphoranylidenepentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1,3-dithian-2-yl)-4-methyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)pentanoate Traditional Name: 5-(1,3-dithian-2-yl)-3-keto-4-methyl-2-triphenylphosphoranylidene-valeric acid tert-butyl ester Formula: C32H37O3PS2 MolecularWeight: 564.738141

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1SCCCS1)C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CC1SCCCS1)C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H37O3PS2/c1-24(23-28-37-21-14-22-38-28)29(33)30(31(34)35-32(2,3)4)36(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-13,15-20,24,28H,14,21-23H2,1-4H3