[2-[(2-phenyl-1,3-benzoxathiol-2-yl)sulfanyl]phenyl] benzoate

Systemtic Name: [2-[(2-phenyl-1,3-benzoxathiol-2-yl)sulfanyl]phenyl] benzoate Openeye Name: [2-[(2-phenyl-1,3-benzoxathiol-2-yl)sulfanyl]phenyl] benzoate CAS Name: benzoic acid [2-[(2-phenyl-1,3-benzoxathiol-2-yl)thio]phenyl] ester IUPAC Name: [2-[(2-phenyl-1,3-benzoxathiol-2-yl)sulfanyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(2-phenyl-1,3-benzoxathiol-2-yl)thio]phenyl] ester Formula: C26H18O3S2 MolecularWeight: 442.54932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2SC3(OC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2SC3(OC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H18O3S2/c27-25(19-11-3-1-4-12-19)28-21-15-7-9-17-23(21)30-26(20-13-5-2-6-14-20)29-22-16-8-10-18-24(22)31-26/h1-18H