chloranylbenzene; 3-ethyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)oxirane-2-carboxylic acid

Systemtic Name: chloranylbenzene; 3-ethyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)oxirane-2-carboxylic acid Openeye Name: chlorobenzene; 3-ethyl-2-(7-hydroxy-7-oxo-heptyl)oxirane-2-carboxylic acid CAS Name: chlorobenzene; 3-ethyl-2-(7-hydroxy-7-oxoheptyl)-2-oxiranecarboxylic acid IUPAC Name: chlorobenzene; 3-ethyl-2-(7-hydroxy-7-oxoheptyl)oxirane-2-carboxylic acid Traditional Name: chlorobenzene; 3-ethyl-2-(7-hydroxy-7-keto-heptyl)oxirane-2-carboxylic acid Formula: C18H25ClO5 MolecularWeight: 356.8411

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)(CCCCCCC(=O)O)C(=O)O.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC1C(O1)(CCCCCCC(=O)O)C(=O)O.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H20O5.C6H5Cl/c1-2-9-12(17-9,11(15)16)8-6-4-3-5-7-10(13)14;7-6-4-2-1-3-5-6/h9H,2-8H2,1H3,(H,13,14)(H,15,16);1-5H