gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphyrin

Systemtic Name: gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphyrin Openeye Name: gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphyrin CAS Name: gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphyrin IUPAC Name: gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphyrin Traditional Name: gallium 3,7-diethyl-13,17-bis(3-methoxypropyl)-2,8,12,18-tetramethyl-21,22-dihydroporphine Formula: C36H46GaN4O2+3 MolecularWeight: 636.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4CCCOC)C)C(=C3C)CCCOC)C.[Ga+3]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4CCCOC)C)C(=C3C)CCCOC)C.[Ga+3]

InChI

InChI=1S/C36H46N4O2.Ga/c1-9-25-21(3)29-17-31-23(5)27(13-11-15-41-7)35(39-31)20-36-28(14-12-16-42-8)24(6)32(40-36)18-30-22(4)26(10-2)34(38-30)19-33(25)37-29;/h17-20,37-38H,9-16H2,1-8H3;/q;+3