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2-tritriacontanoylbenzenesulfonic acid

2-tritriacontanoylbenzenesulfonic acid

Systemtic Name:2-tritriacontanoylbenzenesulfonic acid
Openeye Name:2-tritriacontanoylbenzenesulfonic acid
CAS Name:2-(1-oxotritriacontyl)benzenesulfonic acid
IUPAC Name:2-tritriacontanoylbenzenesulfonic acid
Traditional Name:2-tritriacontanoylbesylic acid
Formula: C39H70O4S
MolecularWeight: 635.0357
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C39H70O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-38(40)37-34-32-33-36-39(37)44(41,42)43/h32-34,36H,2-31,35H2,1H3,(H,41,42,43)


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