[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]sulfanyl 2,2-dimethylbutanoate

Systemtic Name: [4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]sulfanyl 2,2-dimethylbutanoate Openeye Name: [4-[(E)-2-(4-nitrophenyl)vinyl]phenyl]sulfanyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]thio] ester IUPAC Name: [4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]sulfanyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [[4-[(E)-2-(4-nitrophenyl)vinyl]phenyl]thio] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OSC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)OSC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO4S/c1-4-20(2,3)19(22)25-26-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21(23)24/h5-14H,4H2,1-3H3/b6-5+