2-[4-[[4-(4-nitrophenyl)phenyl]methoxy]but-2-ynylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(4-nitrophenyl)phenyl]methoxy]but-2-ynylsulfanyl]ethanoic acid Openeye Name: 2-[4-[[4-(4-nitrophenyl)phenyl]methoxy]but-2-ynylsulfanyl]acetic acid CAS Name: 2-[4-[[4-(4-nitrophenyl)phenyl]methoxy]but-2-ynylthio]acetic acid IUPAC Name: 2-[4-[[4-(4-nitrophenyl)phenyl]methoxy]but-2-ynylsulfanyl]acetic acid Traditional Name: 2-[4-[4-(4-nitrophenyl)benzyl]oxybut-2-ynylthio]acetic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC#CCSCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COCC#CCSCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5S/c21-19(22)14-26-12-2-1-11-25-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20(23)24/h3-10H,11-14H2,(H,21,22)