zinc S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]phenyl] N-ethylcarbamothioate

Systemtic Name: zinc S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]phenyl] N-ethylcarbamothioate Openeye Name: zinc S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]phenyl] N-ethylcarbamothioate CAS Name: zinc N-ethylcarbamothioic acid S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)-5-porphyrin-22,24-diidyl]phenyl] ester IUPAC Name: zinc S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]phenyl] N-ethylcarbamothioate Traditional Name: zinc N-ethylthiocarbamic acid S-[4-[10,15,20-tris(2,4,6-trimethoxyphenyl)porphine-22,24-diid-5-yl]phenyl] ester Formula: C56H51N5O10SZn MolecularWeight: 1051.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)OC)OC)C8=C(C=C(C=C8OC)OC)OC)C=C4)C9=C(C=C(C=C9OC)OC)OC)[N-]3.[Zn+2]

Isomeric SMILES

CCNC(=O)SC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)OC)OC)C8=C(C=C(C=C8OC)OC)OC)C=C4)C9=C(C=C(C=C9OC)OC)OC)[N-]3.[Zn+2]

InChI

InChI=1S/C56H52N5O10S.Zn/c1-11-57-56(62)72-34-14-12-30(13-15-34)49-35-16-18-37(58-35)50(53-43(66-5)24-31(63-2)25-44(53)67-6)39-20-22-41(60-39)52(55-47(70-9)28-33(65-4)29-48(55)71-10)42-23-21-40(61-42)51(38-19-17-36(49)59-38)54-45(68-7)26-32(64-3)27-46(54)69-8;/h12-29H,11H2,1-10H3,(H2-,57,58,59,60,61,62);/q-1;+2/p-1