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

Systemtic Name: 2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Openeye Name: 2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid CAS Name: 2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid IUPAC Name: 2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Traditional Name: 2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Formula: C21H14N2O11S3 MolecularWeight: 566.53766

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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(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H14N2O11S3/c1-10-6-14-18(16(7-10)36(27,28)29)22-20(33-14)11-2-4-12(5-3-11)21-23-19-15(34-21)8-13(35(24,25)26)9-17(19)37(30,31)32/h2-9H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)