3-butoxy-5-(4-methylphenyl)sulfonyl-benzene-1,2-diol

Systemtic Name: 3-butoxy-5-(4-methylphenyl)sulfonyl-benzene-1,2-diol Openeye Name: 3-butoxy-5-(p-tolylsulfonyl)benzene-1,2-diol CAS Name: 3-butoxy-5-(4-methylphenyl)sulfonylbenzene-1,2-diol IUPAC Name: 3-butoxy-5-(4-methylphenyl)sulfonylbenzene-1,2-diol Traditional Name: 3-butoxy-5-tosyl-pyrocatechol Formula: C17H20O5S MolecularWeight: 336.4027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)C)O)O

Isomeric SMILES

CCCCOC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)C)O)O

InChI

InChI=1S/C17H20O5S/c1-3-4-9-22-16-11-14(10-15(18)17(16)19)23(20,21)13-7-5-12(2)6-8-13/h5-8,10-11,18-19H,3-4,9H2,1-2H3