2-(1-iodanyl-3,5,5-trimethyl-hexoxy)carbonylbenzoic acid

Systemtic Name: 2-(1-iodanyl-3,5,5-trimethyl-hexoxy)carbonylbenzoic acid Openeye Name: 2-(1-iodo-3,5,5-trimethyl-hexoxy)carbonylbenzoic acid CAS Name: 2-[(1-iodo-3,5,5-trimethylhexoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(1-iodo-3,5,5-trimethylhexoxy)carbonylbenzoic acid Traditional Name: 2-(1-iodo-3,5,5-trimethyl-hexoxy)carbonylbenzoic acid Formula: C17H23IO4 MolecularWeight: 418.26659

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(OC(=O)C1=CC=CC=C1C(=O)O)I)CC(C)(C)C

Isomeric SMILES

CC(CC(OC(=O)C1=CC=CC=C1C(=O)O)I)CC(C)(C)C

InChI

InChI=1S/C17H23IO4/c1-11(10-17(2,3)4)9-14(18)22-16(21)13-8-6-5-7-12(13)15(19)20/h5-8,11,14H,9-10H2,1-4H3,(H,19,20)