2-(2-chloranylethanoyl)benzo[e][1,3]benzoxazole-5-sulfonic acid

Systemtic Name: 2-(2-chloranylethanoyl)benzo[e][1,3]benzoxazole-5-sulfonic acid Openeye Name: 2-(2-chloroacetyl)benzo[e][1,3]benzoxazole-5-sulfonic acid CAS Name: 2-(2-chloro-1-oxoethyl)-5-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-(2-chloroacetyl)benzo[e][1,3]benzoxazole-5-sulfonic acid Traditional Name: 2-(2-chloroacetyl)benzo[e][1,3]benzoxazole-5-sulfonic acid Formula: C13H8ClNO5S MolecularWeight: 325.72432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2N=C(O3)C(=O)CCl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2N=C(O3)C(=O)CCl)S(=O)(=O)O

InChI

InChI=1S/C13H8ClNO5S/c14-6-9(16)13-15-12-8-4-2-1-3-7(8)11(21(17,18)19)5-10(12)20-13/h1-5H,6H2,(H,17,18,19)