5-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxy-benzene-1,2-diol

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxy-benzene-1,2-diol Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxy-benzene-1,2-diol CAS Name: 5-(1,3-benzoxazol-2-ylthio)-3-methoxybenzene-1,2-diol IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxybenzene-1,2-diol Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-3-methoxy-pyrocatechol Formula: C14H11NO4S MolecularWeight: 289.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)SC2=NC3=CC=CC=C3O2)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)SC2=NC3=CC=CC=C3O2)O)O

InChI

InChI=1S/C14H11NO4S/c1-18-12-7-8(6-10(16)13(12)17)20-14-15-9-4-2-3-5-11(9)19-14/h2-7,16-17H,1H3