[1-[(E)-1-(dimethylamino)-3-(2-iodanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]biphenylen-2-yl] benzenesulfonate

Systemtic Name: [1-[(E)-1-(dimethylamino)-3-(2-iodanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]biphenylen-2-yl] benzenesulfonate Openeye Name: [1-[(E)-2-(dimethylamino)-1-(2-iodobenzoyl)vinyl]biphenylen-2-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-[(E)-1-(dimethylamino)-3-(2-iodophenyl)-3-oxoprop-1-en-2-yl]-2-biphenylenyl] ester IUPAC Name: [1-[(E)-1-(dimethylamino)-3-(2-iodophenyl)-3-oxoprop-1-en-2-yl]biphenylen-2-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-[(E)-2-(dimethylamino)-1-(2-iodobenzoyl)vinyl]biphenylen-2-yl] ester Formula: C29H22INO4S MolecularWeight: 607.45875

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C1=C(C=CC2=C1C3=CC=CC=C23)OS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5I

Isomeric SMILES

CN(C)/C=C(\C1=C(C=CC2=C1C3=CC=CC=C23)OS(=O)(=O)C4=CC=CC=C4)/C(=O)C5=CC=CC=C5I

InChI

InChI=1S/C29H22INO4S/c1-31(2)18-24(29(32)23-14-8-9-15-25(23)30)28-26(35-36(33,34)19-10-4-3-5-11-19)17-16-22-20-12-6-7-13-21(20)27(22)28/h3-18H,1-2H3/b24-18+