[5,5-bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] benzoate

Systemtic Name: [5,5-bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] benzoate Openeye Name: [2,3-dibenzyloxy-1-(benzyloxymethyl)-4,4-bis(ethylsulfanyl)butyl] benzoate CAS Name: benzoic acid [5,5-bis(ethylthio)-1,3,4-tris(phenylmethoxy)pentan-2-yl] ester IUPAC Name: [5,5-bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] benzoate Traditional Name: benzoic acid [2,3-dibenzoxy-1-(benzoxymethyl)-4,4-bis(ethylthio)butyl] ester Formula: C37H42O5S2 MolecularWeight: 630.85638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)SCC

Isomeric SMILES

CCSC(C(C(C(COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)SCC

InChI

InChI=1S/C37H42O5S2/c1-3-43-37(44-4-2)35(41-27-31-21-13-7-14-22-31)34(40-26-30-19-11-6-12-20-30)33(28-39-25-29-17-9-5-10-18-29)42-36(38)32-23-15-8-16-24-32/h5-24,33-35,37H,3-4,25-28H2,1-2H3