4-methyl-2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[2-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethyl]benzenesulfonic acid CAS Name: 4-methyl-2-[2-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[2-(2-methylcoumaran-5-yl)ethyl]besylic acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)CCC3=C(C=CC(=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)CCC3=C(C=CC(=C3)C)S(=O)(=O)O

InChI

InChI=1S/C18H20O4S/c1-12-3-8-18(23(19,20)21)15(9-12)6-4-14-5-7-17-16(11-14)10-13(2)22-17/h3,5,7-9,11,13H,4,6,10H2,1-2H3,(H,19,20,21)