[4-(phenylmethyl)phenyl] 3-[1-(4-chloranyl-2-iodanyl-phenoxy)propoxy]-2-methyl-benzoate

Systemtic Name: [4-(phenylmethyl)phenyl] 3-[1-(4-chloranyl-2-iodanyl-phenoxy)propoxy]-2-methyl-benzoate Openeye Name: (4-benzylphenyl) 3-[1-(4-chloro-2-iodo-phenoxy)propoxy]-2-methyl-benzoate CAS Name: 3-[1-(4-chloro-2-iodophenoxy)propoxy]-2-methylbenzoic acid [4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzylphenyl) 3-[1-(4-chloro-2-iodophenoxy)propoxy]-2-methylbenzoate Traditional Name: 3-[1-(4-chloro-2-iodo-phenoxy)propoxy]-2-methyl-benzoic acid (4-benzylphenyl) ester Formula: C30H26ClIO4 MolecularWeight: 612.88251

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)Cl)I)OC2=CC=CC(=C2C)C(=O)OC3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)Cl)I)OC2=CC=CC(=C2C)C(=O)OC3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H26ClIO4/c1-3-29(36-28-17-14-23(31)19-26(28)32)35-27-11-7-10-25(20(27)2)30(33)34-24-15-12-22(13-16-24)18-21-8-5-4-6-9-21/h4-17,19,29H,3,18H2,1-2H3