4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphyrin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphyrin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphyrin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphyrin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphyrin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(1Z,5Z,9Z,15Z)-22,23-dihydro-21H-porphin-2-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=C2C=C3C=C4C=CC(=CC5=CC=C(N5)C=C6C=CC(=N6)C=C2N3)N4

Isomeric SMILES

C1=CC(=O)C=CC1=C\2C=C3/C=C\4/C=C/C(=C/C5=CC=C(N5)/C=C\6/C=CC(=N6)/C=C2\N3)/N4

InChI

InChI=1S/C26H18N4O/c31-24-9-1-16(2-10-24)25-14-23-13-21-6-5-19(28-21)11-17-3-4-18(27-17)12-20-7-8-22(29-20)15-26(25)30-23/h1-15,27-28,30H/b19-11-,20-12-,21-13-,26-15-