3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane

Systemtic Name: 3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane Openeye Name: 3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane CAS Name: 3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane IUPAC Name: 3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane Traditional Name: 3-(2-adamantylidene)-7-[(4-chlorophenyl)sulfonylmethyl]-7-methyl-1,2,4-trioxepane Formula: C22H27ClO5S MolecularWeight: 438.96478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC(=C2C3CC4CC(C3)CC2C4)OO1)CS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1(CCOC(=C2C3CC4CC(C3)CC2C4)OO1)CS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H27ClO5S/c1-22(13-29(24,25)19-4-2-18(23)3-5-19)6-7-26-21(27-28-22)20-16-9-14-8-15(11-16)12-17(20)10-14/h2-5,14-17H,6-13H2,1H3