2-[2-[(2,5-dimethylphenyl)methyl]-4-nitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methyl]-4-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(2,5-dimethylphenyl)methyl]-4-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)methyl]-4-nitrophenyl]thio]acetic acid IUPAC Name: 2-[2-[(2,5-dimethylphenyl)methyl]-4-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[2-(2,5-dimethylbenzyl)-4-nitro-phenyl]thio]acetic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C17H17NO4S/c1-11-3-4-12(2)13(7-11)8-14-9-15(18(21)22)5-6-16(14)23-10-17(19)20/h3-7,9H,8,10H2,1-2H3,(H,19,20)