4-methylsulfonyl-1-phenylmethoxy-2-propoxy-cyclohexa-1,3-diene

Systemtic Name: 4-methylsulfonyl-1-phenylmethoxy-2-propoxy-cyclohexa-1,3-diene Openeye Name: 1-benzyloxy-4-methylsulfonyl-2-propoxy-cyclohexa-1,3-diene CAS Name: 4-methylsulfonyl-1-phenylmethoxy-2-propoxycyclohexa-1,3-diene IUPAC Name: 4-methylsulfonyl-1-phenylmethoxy-2-propoxycyclohexa-1,3-diene Traditional Name: 1-benzoxy-4-mesyl-2-propoxy-cyclohexa-1,3-diene Formula: C17H22O4S MolecularWeight: 322.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(CCC(=C1)S(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(CCC(=C1)S(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22O4S/c1-3-11-20-17-12-15(22(2,18)19)9-10-16(17)21-13-14-7-5-4-6-8-14/h4-8,12H,3,9-11,13H2,1-2H3