5-(6-benzamido-7-oxidanyl-7-oxidanylidene-heptyl)-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-(6-benzamido-7-oxidanyl-7-oxidanylidene-heptyl)-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-(6-benzamido-7-hydroxy-7-oxo-heptyl)-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-(6-benzamido-7-hydroxy-7-oxoheptyl)-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-(6-benzamido-7-hydroxy-7-oxoheptyl)-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-(6-benzamido-7-hydroxy-7-keto-heptyl)-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H27NO7/c1-20(19(25)26)27-12-14(13-28-20)8-4-2-7-11-16(18(23)24)21-17(22)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22)(H,23,24)(H,25,26)