2-oxidanyl-3-(phenylmethyl)sulfonyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-oxidanyl-3-(phenylmethyl)sulfonyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-benzylsulfonyl-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-(phenylmethyl)sulfonyl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-benzylsulfonyl-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-benzylsulfonyl-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C14H12O4S MolecularWeight: 276.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=O)C=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=O)C=CC=C2)O

InChI

InChI=1S/C14H12O4S/c15-12-8-4-5-9-13(14(12)16)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)