2-acetyloxybenzoic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Systemtic Name: 2-acetyloxybenzoic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Openeye Name: 2-acetoxybenzoic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one CAS Name: 2-acetyloxybenzoic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one IUPAC Name: 2-acetyloxybenzoic acid; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Traditional Name: 2-acetoxybenzoic acid; 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one Formula: C26H22O8S MolecularWeight: 494.51308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O4S.C9H8O4/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-10H,11H2,1H3;2-5H,1H3,(H,11,12)