5-nitro-2-[(triphenylmethyl)sulfanyloxymethyl]benzoic acid

Systemtic Name: 5-nitro-2-[(triphenylmethyl)sulfanyloxymethyl]benzoic acid Openeye Name: 5-nitro-2-(tritylsulfanyloxymethyl)benzoic acid CAS Name: 5-nitro-2-[[(triphenylmethyl)thio]oxymethyl]benzoic acid IUPAC Name: 5-nitro-2-(tritylsulfanyloxymethyl)benzoic acid Traditional Name: 5-nitro-2-[(tritylthio)oxymethyl]benzoic acid Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SOCC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SOCC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H21NO5S/c29-26(30)25-18-24(28(31)32)17-16-20(25)19-33-34-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19H2,(H,29,30)