methyl 5-(2-phenylphenyl)sulfonylpentanoate hydrochloride

Systemtic Name: methyl 5-(2-phenylphenyl)sulfonylpentanoate hydrochloride Openeye Name: methyl 5-(2-phenylphenyl)sulfonylpentanoate hydrochloride CAS Name: 5-(2-phenylphenyl)sulfonylpentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(2-phenylphenyl)sulfonylpentanoate hydrochloride Traditional Name: 5-(2-phenylphenyl)sulfonylvaleric acid methyl ester hydrochloride Formula: C18H21ClO4S MolecularWeight: 368.87494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCS(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl

Isomeric SMILES

COC(=O)CCCCS(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H20O4S.ClH/c1-22-18(19)13-7-8-14-23(20,21)17-12-6-5-11-16(17)15-9-3-2-4-10-15;/h2-6,9-12H,7-8,13-14H2,1H3;1H