2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid

Systemtic Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid Openeye Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid CAS Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid IUPAC Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid Traditional Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indole-6-sulfonic acid Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=CC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=CC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C22H16N2O4S/c1-13-2-9-18-21(10-13)28-22(24-18)15-5-3-14(4-6-15)19-11-16-7-8-17(29(25,26)27)12-20(16)23-19/h2-12,23H,1H3,(H,25,26,27)