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calcium 4-(7-ethylnonyl)benzenesulfonate

calcium 4-(7-ethylnonyl)benzenesulfonate

Systemtic Name:calcium 4-(7-ethylnonyl)benzenesulfonate
Openeye Name:calcium 4-(7-ethylnonyl)benzenesulfonate
CAS Name:calcium 4-(7-ethylnonyl)benzenesulfonate
IUPAC Name:calcium 4-(7-ethylnonyl)benzenesulfonate
Traditional Name:calcium 4-(7-ethylnonyl)besylate
Formula: C17H27CaO3S+
MolecularWeight: 351.53748
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]


Isomeric SMILES

CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]


InChI

InChI=1S/C17H28O3S.Ca/c1-3-15(4-2)9-7-5-6-8-10-16-11-13-17(14-12-16)21(18,19)20;/h11-15H,3-10H2,1-2H3,(H,18,19,20);/q;+2/p-1


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