3-[3-acetamido-4-oxidanyl-1-(sulfonylamino)naphthalen-2-yl]benzenesulfonic acid

Systemtic Name: 3-[3-acetamido-4-oxidanyl-1-(sulfonylamino)naphthalen-2-yl]benzenesulfonic acid Openeye Name: 3-[3-acetamido-4-hydroxy-1-(sulfonylamino)-2-naphthyl]benzenesulfonic acid CAS Name: 3-[3-acetamido-4-hydroxy-1-(sulfonylamino)-2-naphthalenyl]benzenesulfonic acid IUPAC Name: 3-[3-acetamido-4-hydroxy-1-(sulfonylamino)naphthalen-2-yl]benzenesulfonic acid Traditional Name: 3-[3-acetamido-4-hydroxy-1-(sulfonylamino)-2-naphthyl]besylic acid Formula: C18H14N2O7S2 MolecularWeight: 434.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC=CC=C2C(=C1C3=CC(=CC=C3)S(=O)(=O)O)N=S(=O)=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=CC=CC=C2C(=C1C3=CC(=CC=C3)S(=O)(=O)O)N=S(=O)=O)O

InChI

InChI=1S/C18H14N2O7S2/c1-10(21)19-17-15(11-5-4-6-12(9-11)29(25,26)27)16(20-28(23)24)13-7-2-3-8-14(13)18(17)22/h2-9,22H,1H3,(H,19,21)(H,25,26,27)