zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidanidylphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate

Systemtic Name: zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidanidylphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate Openeye Name: zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidophenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate CAS Name: zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidophenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate IUPAC Name: zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidophenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate Traditional Name: zinc 4-[(1Z,5Z,9Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidophenyl)-4,11,21,22,23,24-hexahydroporphin-5-yl]phenolate Formula: C44H32N4O4Zn MolecularWeight: 746.15828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(N4)C(=C5C=CC(=C(C1N2)C6=CC=C(C=C6)O)N5)C7=CC=C(C=C7)[O-])C8=CC=C(C=C8)[O-])C9=CC=C(C=C9)O.[Zn+2]

Isomeric SMILES

C1=C/C/2=C(/C3=CC=C(N3)/C(=C\4/C=CC(N4)/C(=C\5/C=C/C(=C(/C1N2)\C6=CC=C(C=C6)O)/N5)/C7=CC=C(C=C7)[O-])/C8=CC=C(C=C8)[O-])\C9=CC=C(C=C9)O.[Zn+2]

InChI

InChI=1S/C44H34N4O4.Zn/c49-29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(50)12-4-26)37-21-23-39(47-37)44(28-7-15-32(52)16-8-28)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(51)14-6-27;/h1-24,33,38,45-52H;/q;+2/p-2/b41-34-,42-35-,43-36-,44-40-;