13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate

Systemtic Name: 13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate Openeye Name: 13,17-bis(3-methoxy-3-oxo-propyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate CAS Name: 13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate IUPAC Name: 13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate Traditional Name: 13,17-bis(3-keto-3-methoxy-propyl)-3,8,12,18-tetramethyl-21,22-dihydroporphine-2,7-disulfonate Formula: C32H32N4O10S2-2 MolecularWeight: 696.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)S(=O)(=O)[O-])C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)S(=O)(=O)[O-])C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)S(=O)(=O)[O-]

InChI

InChI=1S/C32H34N4O10S2/c1-15-19(7-9-29(37)45-5)25-14-26-20(8-10-30(38)46-6)16(2)22(34-26)12-27-32(48(42,43)44)18(4)24(36-27)13-28-31(47(39,40)41)17(3)23(35-28)11-21(15)33-25/h11-14,35-36H,7-10H2,1-6H3,(H,39,40,41)(H,42,43,44)/p-2