4-[[(4-carboxy-3-oxidanyl-phenyl)-naphthalen-2-ylsulfonyl-carbamothioyl]-naphthalen-2-ylsulfonyl-amino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-[[(4-carboxy-3-oxidanyl-phenyl)-naphthalen-2-ylsulfonyl-carbamothioyl]-naphthalen-2-ylsulfonyl-amino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-[[(4-carboxy-3-hydroxy-phenyl)-(2-naphthylsulfonyl)carbamothioyl]-(2-naphthylsulfonyl)amino]-3,5-diiodo-benzoic acid CAS Name: 4-[[[4-carboxy-3-hydroxy-N-(2-naphthalenylsulfonyl)anilino]-sulfanylidenemethyl]-(2-naphthalenylsulfonyl)amino]-3,5-diiodobenzoic acid IUPAC Name: 4-[[(4-carboxy-3-hydroxyphenyl)-naphthalen-2-ylsulfonylcarbamothioyl]-naphthalen-2-ylsulfonylamino]-3,5-diiodobenzoic acid Traditional Name: 4-[[(4-carboxy-3-hydroxy-phenyl)-(2-naphthylsulfonyl)thiocarbamoyl]-(2-naphthylsulfonyl)amino]-3,5-diiodo-benzoic acid Formula: C35H22I2N2O9S3 MolecularWeight: 964.56112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC(=C(C=C3)C(=O)O)O)C(=S)N(C4=C(C=C(C=C4I)C(=O)O)I)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC(=C(C=C3)C(=O)O)O)C(=S)N(C4=C(C=C(C=C4I)C(=O)O)I)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H22I2N2O9S3/c36-29-17-24(33(41)42)18-30(37)32(29)39(51(47,48)27-13-10-21-6-2-4-8-23(21)16-27)35(49)38(25-11-14-28(34(43)44)31(40)19-25)50(45,46)26-12-9-20-5-1-3-7-22(20)15-26/h1-19,40H,(H,41,42)(H,43,44)