[4-[10-bromanyl-15-(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl] ethanoate

Systemtic Name: [4-[10-bromanyl-15-(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl] ethanoate Openeye Name: [4-[10-bromo-15-(p-tolyl)-21,24-dihydroporphyrin-5-yl]phenyl] acetate CAS Name: acetic acid [4-[10-bromo-15-(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl] ester IUPAC Name: [4-[10-bromo-15-(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl] acetate Traditional Name: acetic acid [4-[10-bromo-15-(p-tolyl)-21,24-dihydroporphin-5-yl]phenyl] ester Formula: C35H25BrN4O2 MolecularWeight: 613.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)OC(=O)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)OC(=O)C)N3

InChI

InChI=1S/C35H25BrN4O2/c1-20-3-5-22(6-4-20)33-27-13-9-24(37-27)19-25-10-14-28(38-25)34(23-7-11-26(12-8-23)42-21(2)41)30-16-18-32(40-30)35(36)31-17-15-29(33)39-31/h3-19,37-38H,1-2H3