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calcium 1-phenylhenicosane-1-sulfonic acid

calcium 1-phenylhenicosane-1-sulfonic acid

Systemtic Name:calcium 1-phenylhenicosane-1-sulfonic acid
Openeye Name:calcium 1-phenylhenicosane-1-sulfonic acid
CAS Name:calcium 1-phenyl-1-heneicosanesulfonic acid
IUPAC Name:calcium 1-phenylhenicosane-1-sulfonic acid
Traditional Name:calcium 1-phenylheneicosane-1-sulfonic acid
Formula: C27H48CaO3S+2
MolecularWeight: 492.81122
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.[Ca+2]


InChI

InChI=1S/C27H48O3S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(31(28,29)30)26-23-20-19-21-24-26;/h19-21,23-24,27H,2-18,22,25H2,1H3,(H,28,29,30);/q;+2


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