phosphanyl 7-[3-(methylamino)-4-oxidanylidene-pentyl]sulfanylhepta-2,4-diynoate

Systemtic Name: phosphanyl 7-[3-(methylamino)-4-oxidanylidene-pentyl]sulfanylhepta-2,4-diynoate Openeye Name: phosphanyl 7-[3-(methylamino)-4-oxo-pentyl]sulfanylhepta-2,4-diynoate CAS Name: 7-[[3-(methylamino)-4-oxopentyl]thio]hepta-2,4-diynoic acid phosphino ester IUPAC Name: phosphanyl 7-[3-(methylamino)-4-oxopentyl]sulfanylhepta-2,4-diynoate Traditional Name: 7-[[4-keto-3-(methylamino)pentyl]thio]hepta-2,4-diynoic acid phosphino ester Formula: C13H18NO3PS MolecularWeight: 299.325681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCSCCC#CC#CC(=O)OP)NC

Isomeric SMILES

CC(=O)C(CCSCCC#CC#CC(=O)OP)NC

InChI

InChI=1S/C13H18NO3PS/c1-11(15)12(14-2)8-10-19-9-6-4-3-5-7-13(16)17-18/h12,14H,6,8-10,18H2,1-2H3