[4-(1,3-dithiolan-2-yl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H16O4S3 MolecularWeight: 380.50154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C17H16O4S3/c18-24(19,15-5-6-16-13(11-15)7-8-20-16)21-14-3-1-12(2-4-14)17-22-9-10-23-17/h1-6,11,17H,7-10H2