2-[2-(4-methylphenoxy)ethanoyl]benzo[e][1,3]benzoxazole-5-sulfonic acid

Systemtic Name: 2-[2-(4-methylphenoxy)ethanoyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Openeye Name: 2-[2-(4-methylphenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid CAS Name: 2-[2-(4-methylphenoxy)-1-oxoethyl]-5-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-[2-(4-methylphenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Traditional Name: 2-[2-(4-methylphenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO6S/c1-12-6-8-13(9-7-12)26-11-16(22)20-21-19-15-5-3-2-4-14(15)18(28(23,24)25)10-17(19)27-20/h2-10H,11H2,1H3,(H,23,24,25)