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propan-2-yl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

propan-2-yl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name:propan-2-yl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate
Openeye Name:isopropyl 3-nitro-4-(p-tolylsulfanyl)benzoate
CAS Name:4-[(4-methylphenyl)thio]-3-nitrobenzoic acid propan-2-yl ester
IUPAC Name:propan-2-yl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate
Traditional Name:3-nitro-4-(p-tolylthio)benzoic acid isopropyl ester
Formula: C17H17NO4S
MolecularWeight: 331.38618
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC(C)C)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC(C)C)[N+](=O)[O-]


InChI

InChI=1S/C17H17NO4S/c1-11(2)22-17(19)13-6-9-16(15(10-13)18(20)21)23-14-7-4-12(3)5-8-14/h4-11H,1-3H3


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