10-butyl-15-hexyl-20-(3-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10-butyl-15-hexyl-20-(3-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-butyl-15-hexyl-20-(3-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-butyl-15-hexyl-20-(3-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-butyl-15-hexyl-20-(3-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-butyl-15-hexyl-20-(3-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(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCC)N3)C6=CC(=CC=C6)OC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCC)N3)C6=CC(=CC=C6)OC

InChI

InChI=1S/C37H40N4O/c1-4-6-8-9-14-30-33-20-19-32(40-33)29(13-7-5-2)31-17-15-26(38-31)24-27-16-18-35(39-27)37(36-22-21-34(30)41-36)25-11-10-12-28(23-25)42-3/h10-12,15-24,38-39H,4-9,13-14H2,1-3H3