2-acetamido-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid

Systemtic Name: 2-acetamido-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Openeye Name: 2-acetamido-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid CAS Name: 2-acetamido-6-(2-hydroxyethylsulfonyl)-1-naphthalenesulfonic acid IUPAC Name: 2-acetamido-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Traditional Name: 2-acetamido-6-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Formula: C14H15NO7S2 MolecularWeight: 373.4014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O

InChI

InChI=1S/C14H15NO7S2/c1-9(17)15-13-5-2-10-8-11(23(18,19)7-6-16)3-4-12(10)14(13)24(20,21)22/h2-5,8,16H,6-7H2,1H3,(H,15,17)(H,20,21,22)