[6-(1,3-dithian-2-yl)-5-oxidanyl-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [6-(1,3-dithian-2-yl)-5-oxidanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [6-(1,3-dithian-2-yl)-5-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(1,3-dithian-2-yl)-5-hydroxyhexyl] ester IUPAC Name: [6-(1,3-dithian-2-yl)-5-hydroxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(1,3-dithian-2-yl)-5-hydroxy-hexyl] ester Formula: C17H26O4S3 MolecularWeight: 390.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(CC2SCCCS2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(CC2SCCCS2)O

InChI

InChI=1S/C17H26O4S3/c1-14-6-8-16(9-7-14)24(19,20)21-10-3-2-5-15(18)13-17-22-11-4-12-23-17/h6-9,15,17-18H,2-5,10-13H2,1H3