10-bromanyl-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10-bromanyl-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-bromo-15-hexyl-20-sec-butyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-bromo-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-bromo-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-bromo-15-hexyl-20-sec-butyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphine Formula: C39H43BrN4O3 MolecularWeight: 695.68772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=CC(=C(C(=C6)OC)OC)OC)N3)C(C)CC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=CC(=C(C(=C6)OC)OC)OC)N3)C(C)CC

InChI

InChI=1S/C39H43BrN4O3/c1-7-9-10-11-12-25-26-13-15-28(41-26)36(23(3)8-2)29-16-17-30(43-29)37(24-21-34(45-4)39(47-6)35(22-24)46-5)31-18-20-33(44-31)38(40)32-19-14-27(25)42-32/h13-23,43-44H,7-12H2,1-6H3