2-(4-butoxyphenyl)sulfonyloctanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfonyloctanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfonyloctanoic acid CAS Name: 2-(4-butoxyphenyl)sulfonyloctanoic acid IUPAC Name: 2-(4-butoxyphenyl)sulfonyloctanoic acid Traditional Name: 2-(4-butoxyphenyl)sulfonylcaprylic acid Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCCCC

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCCCC

InChI

InChI=1S/C18H28O5S/c1-3-5-7-8-9-17(18(19)20)24(21,22)16-12-10-15(11-13-16)23-14-6-4-2/h10-13,17H,3-9,14H2,1-2H3,(H,19,20)