2,2-dimethyl-4-(phenylsulfonyl)-1,5-benzodioxepine

Systemtic Name: 2,2-dimethyl-4-(phenylsulfonyl)-1,5-benzodioxepine Openeye Name: 4-(benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine CAS Name: 4-(benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepin IUPAC Name: 4-(benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine Traditional Name: 4-besyl-2,2-dimethyl-1,5-benzodioxepin Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(OC2=CC=CC=C2O1)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C=C(OC2=CC=CC=C2O1)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16O4S/c1-17(2)12-16(20-14-10-6-7-11-15(14)21-17)22(18,19)13-8-4-3-5-9-13/h3-12H,1-2H3