4-[(10Z,14Z,19Z)-10,15,20-tris(2,4,6-trimethylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione

Systemtic Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,4,6-trimethylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione Openeye Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,4,6-trimethylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione CAS Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,4,6-trimethylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]-1-cyclohexa-2,5-dienethione IUPAC Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,4,6-trimethylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione Traditional Name: 4-[(10Z,14Z,19Z)-10,15,20-trimesityl-22,23-dihydro-21H-porphin-5-ylidene]cyclohexa-2,5-diene-1-thione Formula: C53H48N4S MolecularWeight: 773.04002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=S)C=C5)C6=CC=C(N6)C(=C7C=CC2=N7)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)/C/2=C/3\C=C/C(=C(/C4=CC=C(N4)C(=C5C=CC(=S)C=C5)C6=CC=C(N6)/C(=C\7/C=CC2=N7)/C8=C(C=C(C=C8C)C)C)\C9=C(C=C(C=C9C)C)C)/N3)C

InChI

InChI=1S/C53H48N4S/c1-28-22-31(4)47(32(5)23-28)51-41-16-14-39(54-41)50(37-10-12-38(58)13-11-37)40-15-17-42(55-40)52(48-33(6)24-29(2)25-34(48)7)44-19-21-46(57-44)53(45-20-18-43(51)56-45)49-35(8)26-30(3)27-36(49)9/h10-27,54-56H,1-9H3/b51-43+,52-44+,53-45+