4-[[3-[4-(4-hydroxyphenyl)phenyl]-1-benzothiophen-2-yl]methyl]benzene-1,2-diol

Systemtic Name: 4-[[3-[4-(4-hydroxyphenyl)phenyl]-1-benzothiophen-2-yl]methyl]benzene-1,2-diol Openeye Name: 4-[[3-[4-(4-hydroxyphenyl)phenyl]benzothiophen-2-yl]methyl]benzene-1,2-diol CAS Name: 4-[[3-[4-(4-hydroxyphenyl)phenyl]-1-benzothiophen-2-yl]methyl]benzene-1,2-diol IUPAC Name: 4-[[3-[4-(4-hydroxyphenyl)phenyl]-1-benzothiophen-2-yl]methyl]benzene-1,2-diol Traditional Name: 4-[[3-[4-(4-hydroxyphenyl)phenyl]benzothiophen-2-yl]methyl]pyrocatechol Formula: C27H20O3S MolecularWeight: 424.5109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CC3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CC3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H20O3S/c28-21-12-10-19(11-13-21)18-6-8-20(9-7-18)27-22-3-1-2-4-25(22)31-26(27)16-17-5-14-23(29)24(30)15-17/h1-15,28-30H,16H2