3-[3,7,13,17-tetramethyl-15-[(E)-3-oxidanylprop-1-enyl]-8,12,18-tris(3-oxidanylpropyl)-21,22-dihydroporphyrin-2-yl]propan-1-ol

Systemtic Name: 3-[3,7,13,17-tetramethyl-15-[(E)-3-oxidanylprop-1-enyl]-8,12,18-tris(3-oxidanylpropyl)-21,22-dihydroporphyrin-2-yl]propan-1-ol Openeye Name: 3-[15-[(E)-3-hydroxyprop-1-enyl]-8,12,18-tris(3-hydroxypropyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propan-1-ol CAS Name: 3-[15-[(E)-3-hydroxyprop-1-enyl]-8,12,18-tris(3-hydroxypropyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]-1-propanol IUPAC Name: 3-[15-[(E)-3-hydroxyprop-1-enyl]-8,12,18-tris(3-hydroxypropyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propan-1-ol Traditional Name: 3-[15-[(E)-3-hydroxyprop-1-enyl]-8,12,18-tris(3-hydroxypropyl)-3,7,13,17-tetramethyl-21,22-dihydroporphin-2-yl]propan-1-ol Formula: C39H50N4O5 MolecularWeight: 654.8381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCCO)C(=C4C)CCCO)C=CCO)C(=C3CCCO)C)CCCO

Isomeric SMILES

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCCO)C(=C4C)CCCO)/C=C/CO)C(=C3CCCO)C)CCCO

InChI

InChI=1S/C39H50N4O5/c1-23-27(10-5-15-44)34-21-36-29(12-7-17-46)25(3)38(42-36)31(14-9-19-48)39-26(4)30(13-8-18-47)37(43-39)22-35-28(11-6-16-45)24(2)33(41-35)20-32(23)40-34/h9,14,20-22,40-41,44-48H,5-8,10-13,15-19H2,1-4H3/b14-9+,32-20?,33-20?,34-21?,35-22?,36-21?,37-22?,38-31?,39-31?