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

Systemtic Name: [4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Openeye Name: [4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-4-10-24(20,21)23-15-9-8-12(2)11-14(15)18-19-17-13(3)6-5-7-16(17)22-18/h5-9,11H,4,10H2,1-3H3