[4-(1,3-dithian-2-yl)phenyl] 2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl] 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: [4-(1,3-dithian-2-yl)phenyl] 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid [4-(1,3-dithian-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithian-2-yl)phenyl] 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid [4-(1,3-dithian-2-yl)phenyl] ester Formula: C21H26O3S3 MolecularWeight: 422.62434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCCS3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCCS3)C)C

InChI

InChI=1S/C21H26O3S3/c1-13-14(2)16(4)20(17(5)15(13)3)27(22,23)24-19-9-7-18(8-10-19)21-25-11-6-12-26-21/h7-10,21H,6,11-12H2,1-5H3