methyl 5-chloranyl-2-[(E)-3-[1-methyl-2-[4-(2-methylsulfonyloxyethoxy)phenyl]carbonyl-pyrrol-1-ium-1-yl]prop-1-enyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(E)-3-[1-methyl-2-[4-(2-methylsulfonyloxyethoxy)phenyl]carbonyl-pyrrol-1-ium-1-yl]prop-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-[1-methyl-2-[4-(2-methylsulfonyloxyethoxy)benzoyl]pyrrol-1-ium-1-yl]prop-1-enyl]benzoate CAS Name: 5-chloro-2-[(E)-3-[1-methyl-2-[[4-(2-methylsulfonyloxyethoxy)phenyl]-oxomethyl]-1-pyrrol-1-iumyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-3-[1-methyl-2-[4-(2-methylsulfonyloxyethoxy)benzoyl]pyrrol-1-ium-1-yl]prop-1-enyl]benzoate Traditional Name: 5-chloro-2-[(E)-3-[1-methyl-2-[4-(2-methylsulfonyloxyethoxy)benzoyl]pyrrol-1-ium-1-yl]prop-1-enyl]benzoic acid methyl ester Formula: C26H27ClNO7S+ MolecularWeight: 533.01308

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC=C1C(=O)C2=CC=C(C=C2)OCCOS(=O)(=O)C)CC=CC3=C(C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

C[N+]1(C=CC=C1C(=O)C2=CC=C(C=C2)OCCOS(=O)(=O)C)C/C=C/C3=C(C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C26H27ClNO7S/c1-28(14-4-6-19-8-11-21(27)18-23(19)26(30)33-2)15-5-7-24(28)25(29)20-9-12-22(13-10-20)34-16-17-35-36(3,31)32/h4-13,15,18H,14,16-17H2,1-3H3/q+1/b6-4+