6-acetamido-4-(phenylsulfonyloxy)naphthalene-2-sulfonic acid

Systemtic Name: 6-acetamido-4-(phenylsulfonyloxy)naphthalene-2-sulfonic acid Openeye Name: 6-acetamido-4-(benzenesulfonyloxy)naphthalene-2-sulfonic acid CAS Name: 6-acetamido-4-(benzenesulfonyloxy)-2-naphthalenesulfonic acid IUPAC Name: 6-acetamido-4-(benzenesulfonyloxy)naphthalene-2-sulfonic acid Traditional Name: 6-acetamido-4-besyloxy-naphthalene-2-sulfonic acid Formula: C18H15NO7S2 MolecularWeight: 421.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO7S2/c1-12(20)19-14-8-7-13-9-16(27(21,22)23)11-18(17(13)10-14)26-28(24,25)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,20)(H,21,22,23)