3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-13-[(E)-3-oxidanylidenenon-1-enyl]-8-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-13-[(E)-3-oxidanylidenenon-1-enyl]-8-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-13-[(E)-3-oxonon-1-enyl]-8-(2,2,2-trifluoro-1-hydroxy-ethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-13-[(E)-3-oxonon-1-enyl]-8-(2,2,2-trifluoro-1-hydroxyethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-13-[(E)-3-oxonon-1-enyl]-8-(2,2,2-trifluoro-1-hydroxyethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-13-[(E)-3-ketonon-1-enyl]-3,7,12,17-tetramethyl-8-(2,2,2-trifluoro-1-hydroxy-ethyl)-22,23-dihydroporphin-2-yl]propionic acid Formula: C41H45F3N4O6 MolecularWeight: 746.81441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C=CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)C(C(F)(F)F)O)C

Isomeric SMILES

CCCCCCC(=O)/C=C/C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)C(C(F)(F)F)O)C

InChI

InChI=1S/C41H45F3N4O6/c1-6-7-8-9-10-25(49)11-12-26-21(2)31-19-36-39(40(54)41(42,43)44)24(5)32(48-36)17-29-22(3)27(13-15-37(50)51)34(45-29)20-35-28(14-16-38(52)53)23(4)30(46-35)18-33(26)47-31/h11-12,17-20,40,47-48,54H,6-10,13-16H2,1-5H3,(H,50,51)(H,52,53)/b12-11+,29-17?,30-18?,31-19?,32-17?,33-18?,34-20?,35-20?,36-19?