methyl 4-[10-decyl-18-(4-methoxy-4-oxidanylidene-butyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphyrin-2-yl]butanoate

Systemtic Name: methyl 4-[10-decyl-18-(4-methoxy-4-oxidanylidene-butyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphyrin-2-yl]butanoate Openeye Name: methyl 4-[10-decyl-18-(4-methoxy-4-oxo-butyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphyrin-2-yl]butanoate CAS Name: 4-[10-decyl-18-(4-methoxy-4-oxobutyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphyrin-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[10-decyl-18-(4-methoxy-4-oxobutyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphyrin-2-yl]butanoate Traditional Name: 4-[10-decyl-18-(4-keto-4-methoxy-butyl)-3,7,8,13,13,17-hexamethyl-21,24-dihydro-12H-porphin-2-yl]butyric acid methyl ester Formula: C46H64N4O4 MolecularWeight: 737.02476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C2C(=C(C(=N2)C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(CC1=N5)(C)C)C)CCCC(=O)OC)N3)CCCC(=O)OC)C)C)C

Isomeric SMILES

CCCCCCCCCCC1=C2C(=C(C(=N2)C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(CC1=N5)(C)C)C)CCCC(=O)OC)N3)CCCC(=O)OC)C)C)C

InChI

InChI=1S/C46H64N4O4/c1-10-11-12-13-14-15-16-17-20-35-41-28-46(6,7)42(49-41)27-38-32(5)34(22-19-24-44(52)54-9)40(48-38)26-39-33(21-18-23-43(51)53-8)31(4)37(47-39)25-36-29(2)30(3)45(35)50-36/h25-27,47-48H,10-24,28H2,1-9H3