4-[(9E,15E,19E)-23,24-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(9E,15E,19E)-23,24-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(9E,15E,19E)-23,24-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(9E,15E,19E)-23,24-dihydro-21H-porphyrin-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(9E,15E,19E)-23,24-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(9E,15E,19E)-23,24-dihydro-21H-porphin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C26H18N4O MolecularWeight: 402.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C3=NC(=CC4=CC=C(N4)C=C5C=CC(=CC6=CC=C2N6)N5)C=C3

Isomeric SMILES

C1=CC(=O)C=CC1=C2C3=N/C(=C/C4=CC=C(N4)/C=C/5\C=C/C(=C\C6=CC=C2N6)/N5)/C=C3

InChI

InChI=1S/C26H18N4O/c31-23-9-1-16(2-10-23)26-24-11-7-21(29-24)14-19-5-3-17(27-19)13-18-4-6-20(28-18)15-22-8-12-25(26)30-22/h1-15,27-29H/b17-13+,19-14+,22-15+