2-methylbenzo[e][1,3]benzoxazole-8-sulfonic acid

Systemtic Name: 2-methylbenzo[e][1,3]benzoxazole-8-sulfonic acid Openeye Name: 2-methylbenzo[e][1,3]benzoxazole-8-sulfonic acid CAS Name: 2-methyl-8-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-methylbenzo[e][1,3]benzoxazole-8-sulfonic acid Traditional Name: 2-methylbenzo[e][1,3]benzoxazole-8-sulfonic acid Formula: C12H9NO4S MolecularWeight: 263.26916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC3=C2C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(O1)C=CC3=C2C=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C12H9NO4S/c1-7-13-12-10-6-9(18(14,15)16)4-2-8(10)3-5-11(12)17-7/h2-6H,1H3,(H,14,15,16)