(4-hexoxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone

Systemtic Name: (4-hexoxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone Openeye Name: (4-hexoxyphenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone CAS Name: (4-hexoxyphenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone IUPAC Name: (4-hexoxyphenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone Traditional Name: (4-hexoxyphenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C27H26O4S/c1-2-3-4-5-16-31-22-13-8-18(9-14-22)26(30)25-23-15-12-21(29)17-24(23)32-27(25)19-6-10-20(28)11-7-19/h6-15,17,28-29H,2-5,16H2,1H3