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zinc 5,15-bis(4-methylphenyl)-10-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,23-diide

zinc 5,15-bis(4-methylphenyl)-10-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,23-diide

Systemtic Name:zinc 5,15-bis(4-methylphenyl)-10-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,23-diide
Openeye Name:zinc 10-[4-(1,1-diallylbut-3-enyl)phenyl]-5,15-bis(p-tolyl)porphyrin-22,23-diide
CAS Name:zinc 5,15-bis(4-methylphenyl)-10-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,23-diide
IUPAC Name:zinc 5,15-bis(4-methylphenyl)-10-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,23-diide
Traditional Name:zinc 10-[4-(1,1-diallylbut-3-enyl)phenyl]-5,15-bis(p-tolyl)porphine-22,23-diide
Formula: C50H42N4Zn
MolecularWeight: 764.30428
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]


Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]


InChI

InChI=1S/C50H42N4.Zn/c1-6-29-50(30-7-2,31-8-3)38-19-17-37(18-20-38)49-45-27-25-43(53-45)47(35-13-9-33(4)10-14-35)41-23-21-39(51-41)32-40-22-24-42(52-40)48(44-26-28-46(49)54-44)36-15-11-34(5)12-16-36;/h6-28,32H,1-3,29-31H2,4-5H3;/q-2;+2


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