disodium 4-acetamido-5-acetyloxy-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-acetamido-5-acetyloxy-naphthalene-2,7-disulfonate Openeye Name: disodium 4-acetamido-5-acetoxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-acetamido-5-acetyloxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-acetamido-5-acetyloxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-acetamido-5-acetoxy-naphthalene-2,7-disulfonate Formula: C14H11NNa2O9S2 MolecularWeight: 447.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2OC(=O)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2OC(=O)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H13NO9S2.2Na/c1-7(16)15-12-5-10(25(18,19)20)3-9-4-11(26(21,22)23)6-13(14(9)12)24-8(2)17;;/h3-6H,1-2H3,(H,15,16)(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2