methyl 3,7-diethyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,12,18-tetramethyl-17,18-bis(oxidanyl)-21,23-dihydroporphyrin-5-carboxylate

Systemtic Name: methyl 3,7-diethyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,12,18-tetramethyl-17,18-bis(oxidanyl)-21,23-dihydroporphyrin-5-carboxylate Openeye Name: methyl 3,7-diethyl-17,18-dihydroxy-13,17-bis(3-methoxy-3-oxo-propyl)-2,8,12,18-tetramethyl-21,23-dihydroporphyrin-5-carboxylate CAS Name: 3,7-diethyl-17,18-dihydroxy-13,17-bis(3-methoxy-3-oxopropyl)-2,8,12,18-tetramethyl-21,23-dihydroporphyrin-5-carboxylic acid methyl ester IUPAC Name: methyl 3,7-diethyl-17,18-dihydroxy-13,17-bis(3-methoxy-3-oxopropyl)-2,8,12,18-tetramethyl-21,23-dihydroporphyrin-5-carboxylate Traditional Name: 3,7-diethyl-17,18-dihydroxy-13,17-bis(3-keto-3-methoxy-propyl)-2,8,12,18-tetramethyl-21,23-dihydroporphine-5-carboxylic acid methyl ester Formula: C38H46N4O8 MolecularWeight: 686.79384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(C5(CCC(=O)OC)O)(C)O)N4)CCC(=O)OC)C)C)CC)C(=O)OC

Isomeric SMILES

CCC1=C2C(=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(C5(CCC(=O)OC)O)(C)O)N4)CCC(=O)OC)C)C)CC)C(=O)OC

InChI

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