3-acetamido-4-[2-acetamido-4-(2-hydroxyethyloxysulfinyl)phenoxy]benzenesulfinic acid

Systemtic Name: 3-acetamido-4-[2-acetamido-4-(2-hydroxyethyloxysulfinyl)phenoxy]benzenesulfinic acid Openeye Name: 3-acetamido-4-[2-acetamido-4-(2-hydroxyethoxysulfinyl)phenoxy]benzenesulfinic acid CAS Name: 3-acetamido-4-[2-acetamido-4-(2-hydroxyethoxysulfinyl)phenoxy]benzenesulfinic acid IUPAC Name: 3-acetamido-4-[2-acetamido-4-(2-hydroxyethoxysulfinyl)phenoxy]benzenesulfinic acid Traditional Name: 3-acetamido-4-[2-acetamido-4-(2-hydroxyethoxysulfinyl)phenoxy]benzenesulfinic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)O)OC2=C(C=C(C=C2)S(=O)OCCO)NC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)O)OC2=C(C=C(C=C2)S(=O)OCCO)NC(=O)C

InChI

InChI=1S/C18H20N2O8S2/c1-11(22)19-15-9-13(29(24)25)3-5-17(15)28-18-6-4-14(30(26)27-8-7-21)10-16(18)20-12(2)23/h3-6,9-10,21H,7-8H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)