15-butyl-5-tert-butyl-21,22-dihydroporphyrin

Systemtic Name: 15-butyl-5-tert-butyl-21,22-dihydroporphyrin Openeye Name: 15-butyl-5-tert-butyl-21,22-dihydroporphyrin CAS Name: 15-butyl-5-tert-butyl-21,22-dihydroporphyrin IUPAC Name: 15-butyl-5-tert-butyl-21,22-dihydroporphyrin Traditional Name: 15-butyl-5-tert-butyl-21,22-dihydroporphine Formula: C28H30N4 MolecularWeight: 422.5646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C=C3C=CC(=C(C4=CC=C(N4)C=C5C=CC1=N5)C(C)(C)C)N3

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C=C3C=CC(=C(C4=CC=C(N4)C=C5C=CC1=N5)C(C)(C)C)N3

InChI

InChI=1S/C28H30N4/c1-5-6-7-22-23-12-8-18(29-23)16-20-10-14-25(31-20)27(28(2,3)4)26-15-11-21(32-26)17-19-9-13-24(22)30-19/h8-17,31-32H,5-7H2,1-4H3