1-benzofuran-2-ylmethyl 4-methylcyclohexa-1,3-diene-1-sulfonate

Systemtic Name: 1-benzofuran-2-ylmethyl 4-methylcyclohexa-1,3-diene-1-sulfonate Openeye Name: benzofuran-2-ylmethyl 4-methylcyclohexa-1,3-diene-1-sulfonate CAS Name: 4-methyl-1-cyclohexa-1,3-dienesulfonic acid 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl 4-methylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4-methylcyclohexa-1,3-diene-1-sulfonic acid benzofuran-2-ylmethyl ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(CC1)S(=O)(=O)OCC2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(CC1)S(=O)(=O)OCC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C16H16O4S/c1-12-6-8-15(9-7-12)21(17,18)19-11-14-10-13-4-2-3-5-16(13)20-14/h2-6,8,10H,7,9,11H2,1H3