2-[[3,5-bis[(2-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-[[3,5-bis[(2-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-[[3,5-bis[(2-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 2-[[[3,5-bis[oxo-(2-sulfoanilino)methyl]phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-[[3,5-bis[(2-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: 2-[[3,5-bis[(2-sulfophenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C27H21N3O12S3 MolecularWeight: 675.66354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3S(=O)(=O)O)C(=O)NC4=CC=CC=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3S(=O)(=O)O)C(=O)NC4=CC=CC=C4S(=O)(=O)O)S(=O)(=O)O

InChI

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