methyl 5-[18-(5-methoxy-5-oxidanylidene-pentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphyrin-2-yl]pentanoate

Systemtic Name: methyl 5-[18-(5-methoxy-5-oxidanylidene-pentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphyrin-2-yl]pentanoate Openeye Name: methyl 5-[18-(5-methoxy-5-oxo-pentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphyrin-2-yl]pentanoate CAS Name: 5-[18-(5-methoxy-5-oxopentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphyrin-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[18-(5-methoxy-5-oxopentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphyrin-2-yl]pentanoate Traditional Name: 5-[18-(5-keto-5-methoxy-pentyl)-3,7,8,13,13,17-hexamethyl-10-phenyl-21,24-dihydro-12H-porphin-2-yl]valeric acid methyl ester Formula: C44H52N4O4 MolecularWeight: 700.90808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)CCCCC(=O)OC)CCCCC(=O)OC)C)C(C3)(C)C)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C2=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)CCCCC(=O)OC)CCCCC(=O)OC)C)C(C3)(C)C)C6=CC=CC=C6)C

InChI

InChI=1S/C44H52N4O4/c1-26-27(2)43-42(30-16-10-9-11-17-30)38-25-44(5,6)39(47-38)24-35-29(4)32(19-13-15-21-41(50)52-8)37(46-35)23-36-31(18-12-14-20-40(49)51-7)28(3)34(45-36)22-33(26)48-43/h9-11,16-17,22-24,45-46H,12-15,18-21,25H2,1-8H3