3-[2-(3,3-dimethyl-5-oxidanyl-6-propyl-2H-1-benzofuran-2-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(3,3-dimethyl-5-oxidanyl-6-propyl-2H-1-benzofuran-2-yl)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(5-hydroxy-3,3-dimethyl-6-propyl-2H-benzofuran-2-yl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(5-hydroxy-3,3-dimethyl-6-propyl-2H-benzofuran-2-yl)ethylthio]propanoic acid IUPAC Name: 3-[2-(5-hydroxy-3,3-dimethyl-6-propyl-2H-1-benzofuran-2-yl)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(5-hydroxy-3,3-dimethyl-6-propyl-coumaran-2-yl)ethylthio]propionic acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCSCCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCSCCC(=O)O)O

InChI

InChI=1S/C18H26O4S/c1-4-5-12-10-15-13(11-14(12)19)18(2,3)16(22-15)6-8-23-9-7-17(20)21/h10-11,16,19H,4-9H2,1-3H3,(H,20,21)