4-[[3-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[3-[(4-fluorosulfonylphenyl)carbamoylamino]benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[3-[[(4-fluorosulfonylanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[3-[(4-fluorosulfonylphenyl)carbamoylamino]benzoyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[3-[(4-fluorosulfonylphenyl)carbamoylamino]benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C24H18FN3O11S3 MolecularWeight: 639.606623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

InChI

InChI=1S/C24H18FN3O11S3/c25-40(32,33)17-6-4-15(5-7-17)26-24(31)27-16-3-1-2-13(8-16)23(30)28-20-11-18(41(34,35)36)9-14-10-19(42(37,38)39)12-21(29)22(14)20/h1-12,29H,(H,28,30)(H2,26,27,31)(H,34,35,36)(H,37,38,39)