4-[2-phenyl-4-(phenylsulfonylmethyl)-1,3-dioxolan-2-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[2-phenyl-4-(phenylsulfonylmethyl)-1,3-dioxolan-2-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[4-(benzenesulfonylmethyl)-2-phenyl-1,3-dioxolan-2-yl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-(benzenesulfonylmethyl)-2-phenyl-1,3-dioxolan-2-yl]butyl ester IUPAC Name: 4-[4-(benzenesulfonylmethyl)-2-phenyl-1,3-dioxolan-2-yl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-(besylmethyl)-2-phenyl-1,3-dioxolan-2-yl]butyl ester Formula: C27H30O7S2 MolecularWeight: 530.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2(OCC(O2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2(OCC(O2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30O7S2/c1-22-14-16-26(17-15-22)36(30,31)33-19-9-8-18-27(23-10-4-2-5-11-23)32-20-24(34-27)21-35(28,29)25-12-6-3-7-13-25/h2-7,10-17,24H,8-9,18-21H2,1H3