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

Systemtic Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Openeye Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid CAS Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Traditional Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Formula: C22H16N2O8S2 MolecularWeight: 500.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5S(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5S(=O)(=O)O)C

InChI

InChI=1S/C22H16N2O8S2/c1-11-7-15-19(17(9-11)33(25,26)27)23-21(31-15)13-3-5-14(6-4-13)22-24-20-16(32-22)8-12(2)10-18(20)34(28,29)30/h3-10H,1-2H3,(H,25,26,27)(H,28,29,30)