5-(4-methylphenyl)sulfonyl-1,2,4-triphenyl-3-benzoxepine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-1,2,4-triphenyl-3-benzoxepine Openeye Name: 1,2,4-triphenyl-5-(p-tolylsulfonyl)-3-benzoxepine CAS Name: 5-(4-methylphenyl)sulfonyl-1,2,4-triphenyl-3-benzoxepin IUPAC Name: 5-(4-methylphenyl)sulfonyl-1,2,4-triphenyl-3-benzoxepine Traditional Name: 1,2,4-triphenyl-5-tosyl-3-benzoxepin Formula: C35H26O3S MolecularWeight: 526.64414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H26O3S/c1-25-21-23-29(24-22-25)39(36,37)35-31-20-12-11-19-30(31)32(26-13-5-2-6-14-26)33(27-15-7-3-8-16-27)38-34(35)28-17-9-4-10-18-28/h2-24H,1H3