1-phenyl-4-(3,4,5-trimethoxyphenoxy)hexane-2-thiol

Systemtic Name: 1-phenyl-4-(3,4,5-trimethoxyphenoxy)hexane-2-thiol Openeye Name: 1-phenyl-4-(3,4,5-trimethoxyphenoxy)hexane-2-thiol CAS Name: 1-phenyl-4-(3,4,5-trimethoxyphenoxy)-2-hexanethiol IUPAC Name: 1-phenyl-4-(3,4,5-trimethoxyphenoxy)hexane-2-thiol Traditional Name: 1-phenyl-4-(3,4,5-trimethoxyphenoxy)hexane-2-thiol Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC1=CC=CC=C1)S)OC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(CC(CC1=CC=CC=C1)S)OC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H28O4S/c1-5-16(12-18(26)11-15-9-7-6-8-10-15)25-17-13-19(22-2)21(24-4)20(14-17)23-3/h6-10,13-14,16,18,26H,5,11-12H2,1-4H3