barium(2+); bis(2-heptylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane

Systemtic Name: barium(2+); bis(2-heptylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane Openeye Name: barium(2+); bis(2-heptylphenoxy)-sulfido-thioxo-$l^{5}-phosphane CAS Name: barium(2+); bis(2-heptylphenoxy)-sulfanylidene-sulfidophosphorane IUPAC Name: barium(2+); bis(2-heptylphenoxy)-sulfanylidene-sulfido-$l^{5}-phosphane Traditional Name: barium(2+); bis(2-heptylphenoxy)-sulfido-thioxo-phosphorane Formula: C52H76BaO4P2S4 MolecularWeight: 1092.691962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCC)[S-].CCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCC)[S-].[Ba+2]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCC)[S-].CCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCC)[S-].[Ba+2]

InChI

InChI=1S/2C26H39O2PS2.Ba/c2*1-3-5-7-9-11-17-23-19-13-15-21-25(23)27-29(30,31)28-26-22-16-14-20-24(26)18-12-10-8-6-4-2;/h2*13-16,19-22H,3-12,17-18H2,1-2H3,(H,30,31);/q;;+2/p-2