5-[[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[[4-[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]methyl]phenyl]methylthio]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[[4-[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]methyl]benzyl]thio]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H26O8S2 MolecularWeight: 458.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)SCC2=CC=C(C=C2)CSC3COC(OC3)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)SCC2=CC=C(C=C2)CSC3COC(OC3)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O8S2/c1-19(17(21)22)25-7-15(8-26-19)29-11-13-3-5-14(6-4-13)12-30-16-9-27-20(2,18(23)24)28-10-16/h3-6,15-16H,7-12H2,1-2H3,(H,21,22)(H,23,24)