2-(4-but-2-ynoxyphenyl)sulfinyloctanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfinyloctanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfinyloctanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfinyloctanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfinyloctanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfinylcaprylic acid Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)C1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1=CC=C(C=C1)OCC#CC

InChI

InChI=1S/C18H24O4S/c1-3-5-7-8-9-17(18(19)20)23(21)16-12-10-15(11-13-16)22-14-6-4-2/h10-13,17H,3,5,7-9,14H2,1-2H3,(H,19,20)