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2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate

2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate

Systemtic Name:2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate
Openeye Name:2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate
CAS Name:2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate
IUPAC Name:2-dodecylbenzenesulfonate; tricyclohexyltin; hydrate
Traditional Name:2-laurylbesylate; tricyclohexyltin; hydrate
Formula: C36H64O4SSn-
MolecularWeight: 711.66596
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O


Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O


InChI

InChI=1S/C18H30O3S.3C6H11.H2O.Sn/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;3*1-2-4-6-5-3-1;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3*1H,2-6H2;1H2;/p-1


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