2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid CAS Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid Traditional Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole-5-sulfonic acid Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)CC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)CC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C16H12N2O5S/c1-9-2-4-13-11(6-9)17-15(22-13)8-16-18-12-7-10(24(19,20)21)3-5-14(12)23-16/h2-7H,8H2,1H3,(H,19,20,21)