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

Systemtic Name: 5-(4-methylphenyl)sulfonyl-3-propoxy-benzene-1,2-diol Openeye Name: 3-propoxy-5-(p-tolylsulfonyl)benzene-1,2-diol CAS Name: 5-(4-methylphenyl)sulfonyl-3-propoxybenzene-1,2-diol IUPAC Name: 5-(4-methylphenyl)sulfonyl-3-propoxybenzene-1,2-diol Traditional Name: 3-propoxy-5-tosyl-pyrocatechol Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O5S/c1-3-8-21-15-10-13(9-14(17)16(15)18)22(19,20)12-6-4-11(2)5-7-12/h4-7,9-10,17-18H,3,8H2,1-2H3