1-[4-[4-(dimethylamino)-2-oxidanyl-5-sulfanyl-pentoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(dimethylamino)-2-oxidanyl-5-sulfanyl-pentoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[4-(dimethylamino)-2-hydroxy-5-sulfanyl-pentoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[4-(dimethylamino)-2-hydroxy-5-mercaptopentoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[4-(dimethylamino)-2-hydroxy-5-sulfanylpentoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[4-(dimethylamino)-2-hydroxy-5-mercapto-pentoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC(CS)N(C)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC(CS)N(C)C)O

InChI

InChI=1S/C18H29NO4S/c1-5-6-16-17(8-7-15(12(2)20)18(16)22)23-10-14(21)9-13(11-24)19(3)4/h7-8,13-14,21-22,24H,5-6,9-11H2,1-4H3