1-[1,1-bis(diethoxyphosphoryl)pent-4-yn-2-yl]-4-methylsulfanyl-benzene

Systemtic Name: 1-[1,1-bis(diethoxyphosphoryl)pent-4-yn-2-yl]-4-methylsulfanyl-benzene Openeye Name: 1-[1-[bis(diethoxyphosphoryl)methyl]but-3-ynyl]-4-methylsulfanyl-benzene CAS Name: 1-[1,1-bis(diethoxyphosphoryl)pent-4-yn-2-yl]-4-(methylthio)benzene IUPAC Name: 1-[1,1-bis(diethoxyphosphoryl)pent-4-yn-2-yl]-4-methylsulfanylbenzene Traditional Name: 1-[1-[bis(diethoxyphosphoryl)methyl]but-3-ynyl]-4-(methylthio)benzene Formula: C20H32O6P2S MolecularWeight: 462.477002

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(CC#C)C1=CC=C(C=C1)SC)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(C(CC#C)C1=CC=C(C=C1)SC)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C20H32O6P2S/c1-7-12-19(17-13-15-18(29-6)16-14-17)20(27(21,23-8-2)24-9-3)28(22,25-10-4)26-11-5/h1,13-16,19-20H,8-12H2,2-6H3