4-(2-methylphenyl)-2-nitro-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-2-nitro-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-nitro-4-(o-tolyl)-2-[3-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 4-(2-methylphenyl)-2-nitro-2-[3-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-methylphenyl)-2-nitro-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-nitro-4-(o-tolyl)-2-[3-(3-thenyloxy)phenoxy]butyric acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)([N+](=O)[O-])OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)([N+](=O)[O-])OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C22H21NO6S/c1-16-5-2-3-6-18(16)9-11-22(21(24)25,23(26)27)29-20-8-4-7-19(13-20)28-14-17-10-12-30-15-17/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,24,25)