[6-ethylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 2-bromanylethanoate

Systemtic Name: [6-ethylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 2-bromanylethanoate Openeye Name: [4,5-dibenzyloxy-2-(benzyloxymethyl)-6-ethylsulfanyl-tetrahydropyran-3-yl] 2-bromoacetate CAS Name: 2-bromoacetic acid [6-(ethylthio)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [6-ethylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [4,5-dibenzoxy-2-(benzoxymethyl)-6-(ethylthio)tetrahydropyran-3-yl] ester Formula: C31H35BrO6S MolecularWeight: 615.575

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)CBr)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)CBr)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H35BrO6S/c1-2-39-31-30(36-21-25-16-10-5-11-17-25)29(35-20-24-14-8-4-9-15-24)28(38-27(33)18-32)26(37-31)22-34-19-23-12-6-3-7-13-23/h3-17,26,28-31H,2,18-22H2,1H3