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6,7-bis(phenylsulfonyloxy)heptyl benzenesulfonate

6,7-bis(phenylsulfonyloxy)heptyl benzenesulfonate

Systemtic Name:6,7-bis(phenylsulfonyloxy)heptyl benzenesulfonate
Openeye Name:6,7-bis(benzenesulfonyloxy)heptyl benzenesulfonate
CAS Name:benzenesulfonic acid 6,7-bis(benzenesulfonyloxy)heptyl ester
IUPAC Name:6,7-bis(benzenesulfonyloxy)heptyl benzenesulfonate
Traditional Name:benzenesulfonic acid 6,7-dibesyloxyheptyl ester
Formula: C25H28O9S3
MolecularWeight: 568.67942
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCCCCC(COS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCCCCC(COS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3


InChI

InChI=1S/C25H28O9S3/c26-35(27,23-14-6-1-7-15-23)32-20-12-4-5-13-22(34-37(30,31)25-18-10-3-11-19-25)21-33-36(28,29)24-16-8-2-9-17-24/h1-3,6-11,14-19,22H,4-5,12-13,20-21H2


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