[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H18O6S3 MolecularWeight: 426.52692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18O6S3/c1-21-16-10-12(18-25-8-9-26-18)2-4-15(16)24-27(19,20)13-3-5-14-17(11-13)23-7-6-22-14/h2-5,10-11,18H,6-9H2,1H3