(phenylmethyl) 3,4-bis(oxidanyl)-5-phenylmethoxy-2-phenylsulfanyl-benzoate

Systemtic Name: (phenylmethyl) 3,4-bis(oxidanyl)-5-phenylmethoxy-2-phenylsulfanyl-benzoate Openeye Name: benzyl 5-benzyloxy-3,4-dihydroxy-2-phenylsulfanyl-benzoate CAS Name: 3,4-dihydroxy-5-phenylmethoxy-2-(phenylthio)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dihydroxy-5-phenylmethoxy-2-phenylsulfanylbenzoate Traditional Name: 5-benzoxy-3,4-dihydroxy-2-(phenylthio)benzoic acid benzyl ester Formula: C27H22O5S MolecularWeight: 458.52558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O)O

InChI

InChI=1S/C27H22O5S/c28-24-23(31-17-19-10-4-1-5-11-19)16-22(27(30)32-18-20-12-6-2-7-13-20)26(25(24)29)33-21-14-8-3-9-15-21/h1-16,28-29H,17-18H2