4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-iodo-phenoxy]methyl]benzoic acid Formula: C30H33IN2O4S MolecularWeight: 644.56349

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)S2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)S2)C5CCCCC5

InChI

InChI=1S/C30H33IN2O4S/c31-25-17-21(13-16-26(25)37-19-20-11-14-22(15-12-20)29(35)36)18-27-28(34)33(24-9-5-2-6-10-24)30(38-27)32-23-7-3-1-4-8-23/h11-18,23-24H,1-10,19H2,(H,35,36)