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2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoic acid

2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoic acid

Systemtic Name:2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoic acid
Openeye Name:2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoic acid
CAS Name:2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propenoic acid
IUPAC Name:2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoic acid
Traditional Name:2-[3-nitro-4-(o-cumenylthio)phenyl]acrylic acid
Formula: C18H17NO4S
MolecularWeight: 343.39688
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C18H17NO4S/c1-11(2)14-6-4-5-7-16(14)24-17-9-8-13(12(3)18(20)21)10-15(17)19(22)23/h4-11H,3H2,1-2H3,(H,20,21)


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