3-[18-(2-carboxyethyl)-7-ethenyl-12-(hydroxymethyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-(hydroxymethyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-12-(hydroxymethyl)-3,8,13,17-tetramethyl-7-vinyl-21,22-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-(hydroxymethyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-(hydroxymethyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-12-methylol-7-vinyl-21,22-dihydroporphin-2-yl]propionic acid Formula: C33H34N4O5 MolecularWeight: 566.64686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CO)C)C)CCC(=O)O)CCC(=O)O)C)C=C

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CO)C)C)CCC(=O)O)CCC(=O)O)C)C=C

InChI

InChI=1S/C33H34N4O5/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26/h6,11-14,34,36,38H,1,7-10,15H2,2-5H3,(H,39,40)(H,41,42)