5-[4-(4-hexadecoxyphenoxy)butanoylamino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-[4-(4-hexadecoxyphenoxy)butanoylamino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-[4-(4-hexadecoxyphenoxy)butanoylamino]-2-methylsulfanyl-benzoic acid CAS Name: 5-[[4-(4-hexadecoxyphenoxy)-1-oxobutyl]amino]-2-(methylthio)benzoic acid IUPAC Name: 5-[4-(4-hexadecoxyphenoxy)butanoylamino]-2-methylsulfanylbenzoic acid Traditional Name: 5-[4-(4-cetyloxyphenoxy)butanoylamino]-2-(methylthio)benzoic acid Formula: C34H51NO5S MolecularWeight: 585.83744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C34H51NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-39-29-20-22-30(23-21-29)40-26-17-18-33(36)35-28-19-24-32(41-2)31(27-28)34(37)38/h19-24,27H,3-18,25-26H2,1-2H3,(H,35,36)(H,37,38)