2-(1-iodanyl-3,7-dimethyl-octoxy)carbonylbenzoic acid

Systemtic Name: 2-(1-iodanyl-3,7-dimethyl-octoxy)carbonylbenzoic acid Openeye Name: 2-(1-iodo-3,7-dimethyl-octoxy)carbonylbenzoic acid CAS Name: 2-[(1-iodo-3,7-dimethyloctoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(1-iodo-3,7-dimethyloctoxy)carbonylbenzoic acid Traditional Name: 2-(1-iodo-3,7-dimethyl-octoxy)carbonylbenzoic acid Formula: C18H25IO4 MolecularWeight: 432.29317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25IO4/c1-12(2)7-6-8-13(3)11-16(19)23-18(22)15-10-5-4-9-14(15)17(20)21/h4-5,9-10,12-13,16H,6-8,11H2,1-3H3,(H,20,21)