dimethyl (3aS,6S)-7-diethoxyphosphoryloxy-6-ethylsulfanyl-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate

Systemtic Name: dimethyl (3aS,6S)-7-diethoxyphosphoryloxy-6-ethylsulfanyl-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate Openeye Name: dimethyl (3aS,6S)-7-diethoxyphosphoryloxy-6-ethylsulfanyl-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate CAS Name: (3aS,6S)-7-diethoxyphosphoryloxy-6-(ethylthio)-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,6S)-7-diethoxyphosphoryloxy-6-ethylsulfanyl-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate Traditional Name: (3aS,6S)-7-diethoxyphosphoryloxy-6-(ethylthio)-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylic acid dimethyl ester Formula: C19H29O8PS MolecularWeight: 448.467521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=C2CCCC2C(=C(C1SCC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOP(=O)(OCC)OC1=C2CCC[C@@H]2C(=C([C@@H]1SCC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H29O8PS/c1-6-25-28(22,26-7-2)27-16-13-11-9-10-12(13)14(18(20)23-4)15(19(21)24-5)17(16)29-8-3/h12,17H,6-11H2,1-5H3/t12-,17-/m0/s1