[4-[2-(4-methanoylphenoxy)ethyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[2-(4-methanoylphenoxy)ethyl]phenyl] propane-2-sulfonate Openeye Name: [4-[2-(4-formylphenoxy)ethyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[2-(4-formylphenoxy)ethyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[2-(4-formylphenoxy)ethyl]phenyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CCOC2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CCOC2=CC=C(C=C2)C=O

InChI

InChI=1S/C18H20O5S/c1-14(2)24(20,21)23-18-9-3-15(4-10-18)11-12-22-17-7-5-16(13-19)6-8-17/h3-10,13-14H,11-12H2,1-2H3