3,5-dinitro-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3,5-dinitro-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-3,5-dinitro-benzoic acid CAS Name: 3,5-dinitro-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-3,5-dinitrobenzoic acid Traditional Name: 2-(benzylthio)-3,5-dinitro-benzoic acid Formula: C14H10N2O6S MolecularWeight: 334.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c17-14(18)11-6-10(15(19)20)7-12(16(21)22)13(11)23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)