2-[(2-ethanoyl-7-hexoxy-1-benzofuran-4-yl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(2-ethanoyl-7-hexoxy-1-benzofuran-4-yl)sulfonylamino]ethanoic acid Openeye Name: 2-[(2-acetyl-7-hexoxy-benzofuran-4-yl)sulfonylamino]acetic acid CAS Name: 2-[(2-acetyl-7-hexoxy-4-benzofuranyl)sulfonylamino]acetic acid IUPAC Name: 2-[(2-acetyl-7-hexoxy-1-benzofuran-4-yl)sulfonylamino]acetic acid Traditional Name: 2-[(2-acetyl-7-hexoxy-benzofuran-4-yl)sulfonylamino]acetic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C

Isomeric SMILES

CCCCCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C

InChI

InChI=1S/C18H23NO7S/c1-3-4-5-6-9-25-14-7-8-16(27(23,24)19-11-17(21)22)13-10-15(12(2)20)26-18(13)14/h7-8,10,19H,3-6,9,11H2,1-2H3,(H,21,22)