[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate CAS Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate Traditional Name: 4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)benzoic acid [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester Formula: C51H40N4O7 MolecularWeight: 820.8859

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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=C(C=C7)C(=O)OCC8C(C(C(C(O8)O)O)O)O)C9=CC=CC=C9)C1=CC=CC=C1)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=C(C=C7)C(=O)OC[C@@H]8[C@H]([C@@H]([C@H]([C@H](O8)O)O)O)O)C9=CC=CC=C9)C1=CC=CC=C1)N3

InChI

InChI=1S/C51H40N4O7/c56-47-42(62-51(60)49(58)48(47)57)28-61-50(59)33-18-16-32(17-19-33)46-40-26-24-38(54-40)44(30-12-6-2-7-13-30)36-22-20-34(52-36)43(29-10-4-1-5-11-29)35-21-23-37(53-35)45(31-14-8-3-9-15-31)39-25-27-41(46)55-39/h1-27,42,47-49,51-53,56-58,60H,28H2/t42-,47-,48+,49-,51+/m1/s1