[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H19NO4S3 MolecularWeight: 433.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C20H19NO4S3/c1-13-10-14-4-3-5-18(19(14)21-12-13)28(22,23)25-16-7-6-15(11-17(16)24-2)20-26-8-9-27-20/h3-7,10-12,20H,8-9H2,1-2H3