O-ethyl [1-(4-chloranylphenoxy)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-(4-chloranylphenoxy)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[(4-chlorophenoxy)methyl]-3,3-bis(dimethoxyphosphoryl)propyl]sulfanylmethanethioate CAS Name: [[1-(4-chlorophenoxy)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(4-chlorophenoxy)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[(4-chlorophenoxy)methyl]-3,3-bis(dimethoxyphosphoryl)propyl]thio]methanethioic acid O-ethyl ester Formula: C17H27ClO8P2S2 MolecularWeight: 520.922002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC(P(=O)(OC)OC)P(=O)(OC)OC)COC1=CC=C(C=C1)Cl

Isomeric SMILES

CCOC(=S)SC(CC(P(=O)(OC)OC)P(=O)(OC)OC)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H27ClO8P2S2/c1-6-25-17(29)30-15(12-26-14-9-7-13(18)8-10-14)11-16(27(19,21-2)22-3)28(20,23-4)24-5/h7-10,15-16H,6,11-12H2,1-5H3