2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-1-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)pyridin-1-ium-1-yl]ethanesulfonate Formula: C45H33N5O3S MolecularWeight: 723.84022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCS(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCS(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H33N5O3S/c51-54(52,53)29-28-50-26-24-33(25-27-50)45-40-22-20-38(48-40)43(31-12-6-2-7-13-31)36-18-16-34(46-36)42(30-10-4-1-5-11-30)35-17-19-37(47-35)44(32-14-8-3-9-15-32)39-21-23-41(45)49-39/h1-27H,28-29H2,(H2,46,47,48,49,51,52,53)