3-[1-methyl-5-oxidanyl-3-oxidanylidene-4-[(2E,4E,6E,8E,10E,12E)-12,14,16-trimethyl-15-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-heptadeca-2,4,6,8,10,12-hexaenoyl]-2H-pyrrol-2-yl]propanoic acid; sodium

Systemtic Name: 3-[1-methyl-5-oxidanyl-3-oxidanylidene-4-[(2E,4E,6E,8E,10E,12E)-12,14,16-trimethyl-15-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-heptadeca-2,4,6,8,10,12-hexaenoyl]-2H-pyrrol-2-yl]propanoic acid; sodium Openeye Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-12,14,16-trimethyl-heptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid; sodium CAS Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-12,14,16-trimethyl-1-oxoheptadeca-2,4,6,8,10,12-hexaenyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid; sodium IUPAC Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid; sodium Traditional Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-12,14,16-trimethyl-heptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-3-keto-1-methyl-2-pyrrolin-2-yl]propionic acid; sodium Formula: C34H47NNaO9 MolecularWeight: 636.72805

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC(C(C)C)C(C)C=C(C)C=CC=CC=CC=CC=CC(=O)C2=C(N(C(C2=O)CCC(=O)O)C)O)O)O.[Na]

Isomeric SMILES

CC1C(C(CC(O1)OC(C(C)C)C(C)/C=C(\C)/C=C/C=C/C=C/C=C/C=C/C(=O)C2=C(N(C(C2=O)CCC(=O)O)C)O)O)O.[Na]

InChI

InChI=1S/C34H47NO9.Na/c1-21(2)33(44-29-20-27(37)31(40)24(5)43-29)23(4)19-22(3)15-13-11-9-7-8-10-12-14-16-26(36)30-32(41)25(17-18-28(38)39)35(6)34(30)42;/h7-16,19,21,23-25,27,29,31,33,37,40,42H,17-18,20H2,1-6H3,(H,38,39);/b8-7+,11-9+,12-10+,15-13+,16-14+,22-19+;