2-(carboxymethylsulfanyl)-2-(5-nitro-2-undecoxy-phenyl)ethanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-(5-nitro-2-undecoxy-phenyl)ethanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-(5-nitro-2-undecoxy-phenyl)acetic acid CAS Name: 2-(carboxymethylthio)-2-(5-nitro-2-undecoxyphenyl)acetic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-(5-nitro-2-undecoxyphenyl)acetic acid Traditional Name: 2-(carboxymethylthio)-2-(5-nitro-2-undecoxy-phenyl)acetic acid Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(C(=O)O)SCC(=O)O

InChI

InChI=1S/C21H31NO7S/c1-2-3-4-5-6-7-8-9-10-13-29-18-12-11-16(22(27)28)14-17(18)20(21(25)26)30-15-19(23)24/h11-12,14,20H,2-10,13,15H2,1H3,(H,23,24)(H,25,26)