ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate

Systemtic Name: ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate Openeye Name: ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate CAS Name: 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate Traditional Name: 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,24-dihydroporphin-5-yl]benzenesulfonic acid ethyl ester Formula: C52H46N4O12S4 MolecularWeight: 1047.20124

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)OCC)C8=CC=C(C=C8)S(=O)(=O)OCC)C9=CC=C(C=C9)S(=O)(=O)OCC)N3

Isomeric SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)OCC)C8=CC=C(C=C8)S(=O)(=O)OCC)C9=CC=C(C=C9)S(=O)(=O)OCC)N3

InChI

InChI=1S/C52H46N4O12S4/c1-5-65-69(57,58)37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)70(59,60)66-6-2)45-29-31-47(55-45)52(36-15-23-40(24-16-36)72(63,64)68-8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)71(61,62)67-7-3/h9-32,53-54H,5-8H2,1-4H3