2-[7,12,17-tris(2-ethoxy-2-oxidanylidene-ethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxidanylidene-propyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid

Systemtic Name: 2-[7,12,17-tris(2-ethoxy-2-oxidanylidene-ethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxidanylidene-propyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid Openeye Name: 2-[7,12,17-tris(2-ethoxy-2-oxo-ethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxo-propyl)-22,23-dihydroporphyrin-2-yl]peroxyacetic acid CAS Name: 2-[7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid IUPAC Name: 2-[7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid Traditional Name: 2-[7,12,17-tris(2-ethoxy-2-keto-ethyl)-3,8,13,18-tetrakis(3-ethoxy-3-keto-propyl)-22,23-dihydroporphin-2-yl]peracetic acid Formula: C54H66N4O17 MolecularWeight: 1043.11844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC(=O)OCC)CCC(=O)OCC)CC(=O)OO)CCC(=O)OCC)CC(=O)OCC)CCC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC(=O)OCC)CCC(=O)OCC)CC(=O)OO)CCC(=O)OCC)CC(=O)OCC)CCC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C54H66N4O17/c1-8-68-47(59)19-15-31-35(23-51(63)72-12-5)43-27-40-32(16-20-48(60)69-9-2)36(24-52(64)73-13-6)45(56-40)29-42-34(18-22-50(62)71-11-4)38(26-54(66)75-67)46(58-42)30-41-33(17-21-49(61)70-10-3)37(25-53(65)74-14-7)44(57-41)28-39(31)55-43/h27-30,55-56,67H,8-26H2,1-7H3