1,2-bis(2-ethylhexyl)-3-iodanyl-benzene

Systemtic Name: 1,2-bis(2-ethylhexyl)-3-iodanyl-benzene Openeye Name: 1,2-bis(2-ethylhexyl)-3-iodo-benzene CAS Name: 1,2-bis(2-ethylhexyl)-3-iodobenzene IUPAC Name: 1,2-bis(2-ethylhexyl)-3-iodobenzene Traditional Name: 1,2-bis(2-ethylhexyl)-3-iodo-benzene Formula: C22H37I MolecularWeight: 428.43365

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=CC=C1)I)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=C(C(=CC=C1)I)CC(CC)CCCC

InChI

InChI=1S/C22H37I/c1-5-9-12-18(7-3)16-20-14-11-15-22(23)21(20)17-19(8-4)13-10-6-2/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3