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3-[[3-chloranyl-5-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid; cyclopropane

3-[[3-chloranyl-5-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid; cyclopropane

Systemtic Name:3-[[3-chloranyl-5-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid; cyclopropane
Openeye Name:3-[3-chloro-4-(4-hydroxy-2-methylsulfonyl-phenoxy)-5-methyl-anilino]-3-oxo-propanoic acid; cyclopropane
CAS Name:3-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylanilino]-3-oxopropanoic acid; cyclopropane
IUPAC Name:3-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylanilino]-3-oxopropanoic acid; cyclopropane
Traditional Name:3-[3-chloro-4-(4-hydroxy-2-mesyl-phenoxy)-5-methyl-anilino]-3-keto-propionic acid; cyclopropane
Formula: C20H22ClNO7S
MolecularWeight: 455.90918
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)Cl)NC(=O)CC(=O)O.C1CC1


Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)Cl)NC(=O)CC(=O)O.C1CC1


InChI

InChI=1S/C17H16ClNO7S.C3H6/c1-9-5-10(19-15(21)8-16(22)23)6-12(18)17(9)26-13-4-3-11(20)7-14(13)27(2,24)25;1-2-3-1/h3-7,20H,8H2,1-2H3,(H,19,21)(H,22,23);1-3H2


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