barium(2+); (2,3-diheptylphenyl) carbamodithioate

Systemtic Name: barium(2+); (2,3-diheptylphenyl) carbamodithioate Openeye Name: barium(2+); (2,3-diheptylphenyl) carbamodithioate CAS Name: barium(2+); carbamodithioic acid (2,3-diheptylphenyl) ester IUPAC Name: barium(2+); (2,3-diheptylphenyl) carbamodithioate Traditional Name: barium(2+); carbamodithioic acid (2,3-diheptylphenyl) ester Formula: C21H35BaNS2+2 MolecularWeight: 502.9663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC=C1)SC(=S)N)CCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCCC1=C(C(=CC=C1)SC(=S)N)CCCCCCC.[Ba+2]

InChI

InChI=1S/C21H35NS2.Ba/c1-3-5-7-9-11-14-18-15-13-17-20(24-21(22)23)19(18)16-12-10-8-6-4-2;/h13,15,17H,3-12,14,16H2,1-2H3,(H2,22,23);/q;+2