(4-butoxy-2-oxidanyl-phenyl)-(4-octylsulfanylphenyl)methanone

Systemtic Name: (4-butoxy-2-oxidanyl-phenyl)-(4-octylsulfanylphenyl)methanone Openeye Name: (4-butoxy-2-hydroxy-phenyl)-(4-octylsulfanylphenyl)methanone CAS Name: (4-butoxy-2-hydroxyphenyl)-[4-(octylthio)phenyl]methanone IUPAC Name: (4-butoxy-2-hydroxyphenyl)-(4-octylsulfanylphenyl)methanone Traditional Name: (4-butoxy-2-hydroxy-phenyl)-[4-(octylthio)phenyl]methanone Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCC)O

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCC)O

InChI

InChI=1S/C25H34O3S/c1-3-5-7-8-9-10-18-29-22-14-11-20(12-15-22)25(27)23-16-13-21(19-24(23)26)28-17-6-4-2/h11-16,19,26H,3-10,17-18H2,1-2H3