bis(chloranyl)tin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphyrin-21,22-diide

Systemtic Name: bis(chloranyl)tin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphyrin-21,22-diide Openeye Name: dichlorotin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphyrin-21,22-diide CAS Name: dichlorotin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphyrin-21,22-diide IUPAC Name: dichlorotin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphyrin-21,22-diide Traditional Name: dichlorotin(2+); (10Z,19Z)-5,5,10,15,15,20-hexabutylporphine-21,22-diide Formula: C44H62Cl2N4Sn MolecularWeight: 836.60588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(C3=NC(=C(C4=CC=C([N-]4)C(C5=CC=C1[N-]5)(CCCC)CCCC)CCCC)C=C3)(CCCC)CCCC.Cl[Sn+2]Cl

Isomeric SMILES

CCCC/C/1=C\2/N=C(C(C3=N/C(=C(\C4=CC=C([N-]4)C(C5=CC=C1[N-]5)(CCCC)CCCC)/CCCC)/C=C3)(CCCC)CCCC)C=C2.Cl[Sn+2]Cl

InChI

InChI=1S/C44H62N4.2ClH.Sn/c1-7-13-19-33-35-21-25-39(45-35)43(29-15-9-3,30-16-10-4)41-27-23-37(47-41)34(20-14-8-2)38-24-28-42(48-38)44(31-17-11-5,32-18-12-6)40-26-22-36(33)46-40;;;/h21-28H,7-20,29-32H2,1-6H3;2*1H;/q-2;;;+4/p-2/b35-33-,37-34-;;;