4-oxidanyl-7-[[4-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]-1H-pyridin-2-yl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-7-[[4-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]-1H-pyridin-2-yl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-4-oxo-1H-pyridine-2-carbonyl]amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[6-[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]-4-oxo-1H-pyridin-2-yl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]-4-oxo-1H-pyridine-2-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-4-keto-1H-pyridine-2-carbonyl]amino]naphthalene-2-sulfonic acid Formula: C27H19N3O11S2 MolecularWeight: 625.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=O)C=C(N3)C(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=O)C=C(N3)C(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C27H19N3O11S2/c31-17-9-22(26(34)28-15-1-3-20-13(5-15)7-18(11-24(20)32)42(36,37)38)30-23(10-17)27(35)29-16-2-4-21-14(6-16)8-19(12-25(21)33)43(39,40)41/h1-12,32-33H,(H,28,34)(H,29,35)(H,30,31)(H,36,37,38)(H,39,40,41)