4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid Openeye Name: 4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid CAS Name: 4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid IUPAC Name: 4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]benzenesulfonic acid Traditional Name: 4-methyl-3-[1-(4-phenoxyphenoxy)ethyl]besylic acid Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)C(C)OC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)C(C)OC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20O5S/c1-15-8-13-20(27(22,23)24)14-21(15)16(2)25-18-9-11-19(12-10-18)26-17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,22,23,24)