methyl 3,7-diethyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,12,18-tetramethyl-2,3-bis(oxidanyl)-23,24-dihydroporphyrin-5-carboxylate

Systemtic Name: methyl 3,7-diethyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,12,18-tetramethyl-2,3-bis(oxidanyl)-23,24-dihydroporphyrin-5-carboxylate Openeye Name: methyl 3,7-diethyl-2,3-dihydroxy-13,17-bis(3-methoxy-3-oxo-propyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-carboxylate CAS Name: 3,7-diethyl-2,3-dihydroxy-13,17-bis(3-methoxy-3-oxopropyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-carboxylic acid methyl ester IUPAC Name: methyl 3,7-diethyl-2,3-dihydroxy-13,17-bis(3-methoxy-3-oxopropyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-carboxylate Traditional Name: 3,7-diethyl-2,3-dihydroxy-13,17-bis(3-keto-3-methoxy-propyl)-2,8,12,18-tetramethyl-23,24-dihydroporphine-5-carboxylic acid methyl ester Formula: C38H46N4O8 MolecularWeight: 686.79384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(CC)O)(C)O)C(=O)OC)C

Isomeric SMILES

CCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(CC)O)(C)O)C(=O)OC)C

InChI

InChI=1S/C38H46N4O8/c1-10-22-19(3)26-16-25-20(4)23(12-14-31(43)48-7)28(39-25)17-29-24(13-15-32(44)49-8)21(5)27(40-29)18-30-37(6,46)38(47,11-2)35(42-30)33(34(22)41-26)36(45)50-9/h16-18,39-40,46-47H,10-15H2,1-9H3