4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]benzoic acid

Systemtic Name: 4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]benzoic acid Openeye Name: 4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]benzoic acid CAS Name: 4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]benzoic acid IUPAC Name: 4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]benzoic acid Traditional Name: 4-[15-(4-carboxyphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphin-5-yl]benzoic acid Formula: C46H52N4O4 MolecularWeight: 724.92948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CC3=C(C(=C(N3)C(C4=C(C(=C(N4)CC5=C(C(=C(N5)C(C(=C1C)N2)C6=CC=C(C=C6)C(=O)O)C)CC)CC)C)C7=CC=C(C=C7)C(=O)O)C)CC

Isomeric SMILES

CCC1=C2CC3=C(C(=C(N3)C(C4=C(C(=C(N4)CC5=C(C(=C(N5)C(C(=C1C)N2)C6=CC=C(C=C6)C(=O)O)C)CC)CC)C)C7=CC=C(C=C7)C(=O)O)C)CC

InChI

InChI=1S/C46H52N4O4/c1-9-31-23(5)41-39(27-13-17-29(18-14-27)45(51)52)42-25(7)33(11-3)37(49-42)22-38-34(12-4)26(8)44(50-38)40(28-15-19-30(20-16-28)46(53)54)43-24(6)32(10-2)36(48-43)21-35(31)47-41/h13-20,39-40,47-50H,9-12,21-22H2,1-8H3,(H,51,52)(H,53,54)