2-(4-methylphenyl)sulfonylbenzo[e][1,3]benzoxazole-5-sulfonic acid

Systemtic Name: 2-(4-methylphenyl)sulfonylbenzo[e][1,3]benzoxazole-5-sulfonic acid Openeye Name: 2-(p-tolylsulfonyl)benzo[e][1,3]benzoxazole-5-sulfonic acid CAS Name: 2-(4-methylphenyl)sulfonyl-5-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-(4-methylphenyl)sulfonylbenzo[e][1,3]benzoxazole-5-sulfonic acid Traditional Name: 2-tosylbenzo[e][1,3]benzoxazole-5-sulfonic acid Formula: C18H13NO6S2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(O2)C=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(O2)C=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

InChI=1S/C18H13NO6S2/c1-11-6-8-12(9-7-11)26(20,21)18-19-17-14-5-3-2-4-13(14)16(27(22,23)24)10-15(17)25-18/h2-10H,1H3,(H,22,23,24)