[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-ethoxy-6-iodanyl-phenyl] benzenesulfonate

Systemtic Name: [4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-ethoxy-6-iodanyl-phenyl] benzenesulfonate Openeye Name: [4-[1,3-bis(p-tolyl)imidazolidin-2-yl]-2-ethoxy-6-iodo-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[1,3-bis(4-methylphenyl)-2-imidazolidinyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-ethoxy-6-iodophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[1,3-bis(p-tolyl)imidazolidin-2-yl]-2-ethoxy-6-iodo-phenyl] ester Formula: C31H31IN2O4S MolecularWeight: 654.55831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2N(CCN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)I)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2N(CCN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)I)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H31IN2O4S/c1-4-37-29-21-24(20-28(32)30(29)38-39(35,36)27-8-6-5-7-9-27)31-33(25-14-10-22(2)11-15-25)18-19-34(31)26-16-12-23(3)13-17-26/h5-17,20-21,31H,4,18-19H2,1-3H3