3-[[3,5-bis[(3-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 3-[[3,5-bis[(3-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 3-[[3,5-bis[(3-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 3-[[[3,5-bis[oxo-(3-sulfoanilino)methyl]phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-[[3,5-bis[(3-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: 3-[[3,5-bis[(3-sulfophenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C27H21N3O12S3 MolecularWeight: 675.66354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)O)C(=O)NC4=CC(=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)O)C(=O)NC4=CC(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C27H21N3O12S3/c31-25(28-19-4-1-7-22(13-19)43(34,35)36)16-10-17(26(32)29-20-5-2-8-23(14-20)44(37,38)39)12-18(11-16)27(33)30-21-6-3-9-24(15-21)45(40,41)42/h1-15H,(H,28,31)(H,29,32)(H,30,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)