4-[[2,4-bis(chloranyl)pyrimidin-5-yl]-methanoyl-amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[[2,4-bis(chloranyl)pyrimidin-5-yl]-methanoyl-amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(2,4-dichloropyrimidin-5-yl)-formyl-amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[(2,4-dichloro-5-pyrimidinyl)-formylamino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(2,4-dichloropyrimidin-5-yl)-formylamino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(2,4-dichloropyrimidin-5-yl)-formyl-amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C15H9Cl2N3O8S2 MolecularWeight: 494.28326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1N(C=O)C3=CN=C(N=C3Cl)Cl)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1N(C=O)C3=CN=C(N=C3Cl)Cl)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H9Cl2N3O8S2/c16-14-10(5-18-15(17)19-14)20(6-21)9-1-2-12(30(26,27)28)8-3-7(29(23,24)25)4-11(22)13(8)9/h1-6,22H,(H,23,24,25)(H,26,27,28)