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

Systemtic Name: 2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid Openeye Name: 2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4,6-disulfonic acid CAS Name: 2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid IUPAC Name: 2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid Traditional Name: 2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4,6-disulfonic acid Formula: C17H12N2O11S3 MolecularWeight: 516.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)C=CC3=NC4=C(C=C(C=C4O3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)/C=C/C3=NC4=C(C=C(C=C4O3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H12N2O11S3/c1-8-4-10-16(12(5-8)32(23,24)25)18-14(29-10)2-3-15-19-17-11(30-15)6-9(31(20,21)22)7-13(17)33(26,27)28/h2-7H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b3-2+