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triacontyl benzenesulfonate

triacontyl benzenesulfonate

Systemtic Name:triacontyl benzenesulfonate
Openeye Name:triacontyl benzenesulfonate
CAS Name:benzenesulfonic acid triacontyl ester
IUPAC Name:triacontyl benzenesulfonate
Traditional Name:benzenesulfonic acid melissyl ester
Formula: C36H66O3S
MolecularWeight: 578.97244
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1


InChI

InChI=1S/C36H66O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-35-39-40(37,38)36-33-30-29-31-34-36/h29-31,33-34H,2-28,32,35H2,1H3


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