15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-butyl-10-hexyl-20-(4-methoxyphenyl)-21,22-dihydroporphine Formula: C37H40N4O MolecularWeight: 556.7397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC=C(C=C6)OC)CCCC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC=C(C=C6)OC)CCCC

InChI

InChI=1S/C37H40N4O/c1-4-6-8-9-11-30-31-18-14-26(38-31)24-27-15-19-35(39-27)37(25-12-16-28(42-3)17-13-25)36-23-22-34(41-36)29(10-7-5-2)32-20-21-33(30)40-32/h12-24,38-39H,4-11H2,1-3H3