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dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate

dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate

Systemtic Name:dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate
Openeye Name:dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate
CAS Name:21,22-dihydroporphyrin-5,15-dicarboxylic acid dibutyl ester
IUPAC Name:dibutyl 21,22-dihydroporphyrin-5,15-dicarboxylate
Traditional Name:21,22-dihydroporphine-5,15-dicarboxylic acid dibutyl ester
Formula: C30H30N4O4
MolecularWeight: 510.5836
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)C(=O)OCCCC)C=C3)N2


Isomeric SMILES

CCCCOC(=O)C1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)C(=O)OCCCC)C=C3)N2


InChI

InChI=1S/C30H30N4O4/c1-3-5-15-37-29(35)27-23-11-7-19(31-23)17-21-9-13-25(33-21)28(30(36)38-16-6-4-2)26-14-10-22(34-26)18-20-8-12-24(27)32-20/h7-14,17-18,31-32H,3-6,15-16H2,1-2H3


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