2-(4-azanyl-3-sulfo-phenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid

Systemtic Name: 2-(4-azanyl-3-sulfo-phenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid Openeye Name: 2-(4-amino-3-sulfo-phenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid CAS Name: 2-(4-amino-3-sulfophenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid IUPAC Name: 2-(4-amino-3-sulfophenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid Traditional Name: 2-(4-amino-3-sulfo-phenyl)-5-methyl-1,3-benzoxazole-4-sulfonic acid Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O7S2/c1-7-2-5-10-12(13(7)25(20,21)22)16-14(23-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)