2-(4-pentan-3-yloxyphenyl)sulfinyloctanoic acid

Systemtic Name: 2-(4-pentan-3-yloxyphenyl)sulfinyloctanoic acid Openeye Name: 2-[4-(1-ethylpropoxy)phenyl]sulfinyloctanoic acid CAS Name: 2-(4-pentan-3-yloxyphenyl)sulfinyloctanoic acid IUPAC Name: 2-(4-pentan-3-yloxyphenyl)sulfinyloctanoic acid Traditional Name: 2-[4-(1-ethylpropoxy)phenyl]sulfinylcaprylic acid Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O4S/c1-4-7-8-9-10-18(19(20)21)24(22)17-13-11-16(12-14-17)23-15(5-2)6-3/h11-15,18H,4-10H2,1-3H3,(H,20,21)