methyl 4-[[5-chloranyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-phenyl]methyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-phenyl]methyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxy-phenyl]methyl]benzoate CAS Name: 4-[[5-chloro-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxyphenyl]methyl]benzoate Traditional Name: 4-[5-chloro-2-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxy-benzyl]benzoic acid methyl ester Formula: C21H23ClO7S MolecularWeight: 454.92112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H23ClO7S/c1-28-20(27)12-4-2-11(3-5-12)8-13-9-14(22)6-7-15(13)29-21-19(26)18(25)17(24)16(10-23)30-21/h2-7,9,16-19,21,23-26H,8,10H2,1H3