5-[[3-azanyl-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-azanyl-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-amino-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-amino-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-amino-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-amino-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C28H21N3O8S2 MolecularWeight: 591.61164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C28H21N3O8S2/c29-20-12-18(27(32)30-25-5-1-3-16-14-21(40(34,35)36)7-9-23(16)25)11-19(13-20)28(33)31-26-6-2-4-17-15-22(41(37,38)39)8-10-24(17)26/h1-15H,29H2,(H,30,32)(H,31,33)(H,34,35,36)(H,37,38,39)