S-[(2R)-1-hexoxy-3-[(4-methoxyphenyl)-diphenyl-methoxy]propan-2-yl] benzenecarbothioate

Systemtic Name: S-[(2R)-1-hexoxy-3-[(4-methoxyphenyl)-diphenyl-methoxy]propan-2-yl] benzenecarbothioate Openeye Name: S-[(1R)-1-(hexoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] ester IUPAC Name: S-[(2R)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1R)-1-(hexoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] ester Formula: C36H40O4S MolecularWeight: 568.7654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC[C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C36H40O4S/c1-3-4-5-15-26-39-27-34(41-35(37)29-16-9-6-10-17-29)28-40-36(30-18-11-7-12-19-30,31-20-13-8-14-21-31)32-22-24-33(38-2)25-23-32/h6-14,16-25,34H,3-5,15,26-28H2,1-2H3/t34-/m1/s1