chloranyltin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphyrin-22,23,24-triide

Systemtic Name: chloranyltin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphyrin-22,23,24-triide Openeye Name: chlorotin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphyrin-22,23,24-triide CAS Name: chlorotin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphyrin-22,23,24-triide IUPAC Name: chlorotin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphyrin-22,23,24-triide Traditional Name: chlorotin(3+); furan; (1Z)-5,5,10,10,15,15,20-heptaethylporphine-22,23,24-triide Formula: C38H47ClN4OSn MolecularWeight: 729.96898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=N2)C(C3=CC=C([N-]3)C(C4=CC=C([N-]4)C(C5=CC=C1[N-]5)(CC)CC)(CC)CC)(CC)CC.C1=COC=C1.Cl[Sn+3]

Isomeric SMILES

CC/C/1=C/2\C=CC(=N2)C(C3=CC=C([N-]3)C(C4=CC=C([N-]4)C(C5=CC=C1[N-]5)(CC)CC)(CC)CC)(CC)CC.C1=COC=C1.Cl[Sn+3]

InChI

InChI=1S/C34H43N4.C4H4O.ClH.Sn/c1-8-23-24-15-17-26(35-24)32(9-2,10-3)28-19-21-30(37-28)34(13-6,14-7)31-22-20-29(38-31)33(11-4,12-5)27-18-16-25(23)36-27;1-2-4-5-3-1;;/h15-22H,8-14H2,1-7H3;1-4H;1H;/q-3;;;+4/p-1/b24-23-;;;