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

Systemtic Name: 4-[(3-ethanoylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(3-acetylbenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(3-acetylphenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(3-acetylbenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(3-acetylbenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C19H15NO9S2 MolecularWeight: 465.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C19H15NO9S2/c1-10(21)11-3-2-4-12(5-11)19(23)20-16-8-14(30(24,25)26)6-13-7-15(31(27,28)29)9-17(22)18(13)16/h2-9,22H,1H3,(H,20,23)(H,24,25,26)(H,27,28,29)