barium(2+); 3-octylbenzenethiol

Systemtic Name: barium(2+); 3-octylbenzenethiol Openeye Name: barium(2+); 3-octylbenzenethiol CAS Name: barium(2+); 3-octylbenzenethiol IUPAC Name: barium(2+); 3-octylbenzenethiol Traditional Name: barium(2+); 3-octylbenzenethiol Formula: C14H22BaS+2 MolecularWeight: 359.71648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC=C1)S.[Ba+2]

Isomeric SMILES

CCCCCCCCC1=CC(=CC=C1)S.[Ba+2]

InChI

InChI=1S/C14H22S.Ba/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13;/h8,10-12,15H,2-7,9H2,1H3;/q;+2