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4-[2-(18-sulfinooctadecanoylamino)phenyl]sulfanylbutanoic acid

4-[2-(18-sulfinooctadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name:4-[2-(18-sulfinooctadecanoylamino)phenyl]sulfanylbutanoic acid
Openeye Name:4-[2-(18-sulfinooctadecanoylamino)phenyl]sulfanylbutanoic acid
CAS Name:4-[[2-[(1-oxo-18-sulfinooctadecyl)amino]phenyl]thio]butanoic acid
IUPAC Name:4-[2-(18-sulfinooctadecanoylamino)phenyl]sulfanylbutanoic acid
Traditional Name:4-[[2-(18-sulfinooctadecanoylamino)phenyl]thio]butyric acid
Formula: C28H47NO5S2
MolecularWeight: 541.80648
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCS(=O)O)SCCCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCS(=O)O)SCCCC(=O)O


InChI

InChI=1S/C28H47NO5S2/c30-27(29-25-19-15-16-20-26(25)35-23-18-22-28(31)32)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-24-36(33)34/h15-16,19-20H,1-14,17-18,21-24H2,(H,29,30)(H,31,32)(H,33,34)


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