tetrasodium 2-[[3-[[3,5-bis[(2-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2-sulfonatophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate

Systemtic Name: tetrasodium 2-[[3-[[3,5-bis[(2-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2-sulfonatophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate Openeye Name: tetrasodium 2-[[3-[[3,5-bis[(2-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2-sulfonatophenyl)carbamoyl]benzoyl]amino]benzenesulfonate CAS Name: tetrasodium 2-[[[3-[[[3,5-bis[oxo-(2-sulfonatoanilino)methyl]anilino]-oxomethyl]amino]-5-[oxo-(2-sulfonatoanilino)methyl]phenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: tetrasodium 2-[[3-[[3,5-bis[(2-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2-sulfonatophenyl)carbamoyl]benzoyl]amino]benzenesulfonate Traditional Name: tetrasodium 2-[[3-[[3,5-bis[(2-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2-sulfonatophenyl)carbamoyl]benzoyl]amino]besylate Formula: C41H28N6Na4O17S4 MolecularWeight: 1096.9101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)NC5=CC=CC=C5S(=O)(=O)[O-])C(=O)NC6=CC=CC=C6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)NC5=CC=CC=C5S(=O)(=O)[O-])C(=O)NC6=CC=CC=C6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C41H32N6O17S4.4Na/c48-37(44-29-9-1-5-13-33(29)65(53,54)55)23-17-24(38(49)45-30-10-2-6-14-34(30)66(56,57)58)20-27(19-23)42-41(52)43-28-21-25(39(50)46-31-11-3-7-15-35(31)67(59,60)61)18-26(22-28)40(51)47-32-12-4-8-16-36(32)68(62,63)64;;;;/h1-22H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4