5-[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanyl]hex-3-enyl]sulfanyl-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanyl]hex-3-enyl]sulfanyl-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanyl]hex-3-enyl]sulfanyl-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]hex-3-enyl]thio]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanyl]hex-3-enyl]sulfanyl-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[[(Z)-6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]hex-3-enyl]thio]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C18H28O8S2 MolecularWeight: 436.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)SCCC=CCCSC2COC(OC2)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)SCC/C=C\CCSC2COC(OC2)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H28O8S2/c1-17(15(19)20)23-9-13(10-24-17)27-7-5-3-4-6-8-28-14-11-25-18(2,16(21)22)26-12-14/h3-4,13-14H,5-12H2,1-2H3,(H,19,20)(H,21,22)/b4-3-