[2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] propane-1-sulfonate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] propane-1-sulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-methylphenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H17NO4S/c1-3-10-23(19,20)22-15-9-8-12(2)11-13(15)17-18-14-6-4-5-7-16(14)21-17/h4-9,11H,3,10H2,1-2H3