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

Systemtic Name: 2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid Openeye Name: 2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-6-sulfonic acid CAS Name: 2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid IUPAC Name: 2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid Traditional Name: 2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-6-sulfonic acid Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C=CC3=NC4=C(O3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)/C=C/C3=NC4=C(O3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C17H12N2O5S/c1-10-2-4-12-14(8-10)23-16(18-12)6-7-17-19-13-5-3-11(25(20,21)22)9-15(13)24-17/h2-9H,1H3,(H,20,21,22)/b7-6+