4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]phenyl]carbonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]phenyl]carbonylamino]benzene-1,3-disulfonic acid Openeye Name: 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid CAS Name: 4-[[[3-[[[3,5-bis[(2,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(2,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid Traditional Name: 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid Formula: C41H32N6O29S8 MolecularWeight: 1329.23558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=C(C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=C(C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(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)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)