7-[[4-(1-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[4-(1-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[4-(1-hydroxyethylsulfonyl)-2-nitro-anilino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[4-(1-hydroxyethylsulfonyl)-2-nitroanilino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[4-(1-hydroxyethylsulfonyl)-2-nitroanilino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[4-(1-hydroxyethylsulfonyl)-2-nitro-anilino]naphthalene-2-sulfonic acid Formula: C18H16N2O9S2 MolecularWeight: 468.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(O)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O9S2/c1-10(21)30(25,26)13-3-5-16(17(8-13)20(23)24)19-12-2-4-15-11(6-12)7-14(9-18(15)22)31(27,28)29/h2-10,19,21-22H,1H3,(H,27,28,29)