disodium (E)-4-methyl-4-[(E)-4-[(E)-3-methyl-4-(4-methylsulfonylphenyl)-6-oxidanidyl-6-oxidanylidene-5-propan-2-yloxy-hex-4-en-3-yl]oxy-4-oxidanylidene-but-2-enoyl]oxy-3-(4-methylsulfonylphenyl)-2-propan-2-yloxy-hex-2-enoate

Systemtic Name: disodium (E)-4-methyl-4-[(E)-4-[(E)-3-methyl-4-(4-methylsulfonylphenyl)-6-oxidanidyl-6-oxidanylidene-5-propan-2-yloxy-hex-4-en-3-yl]oxy-4-oxidanylidene-but-2-enoyl]oxy-3-(4-methylsulfonylphenyl)-2-propan-2-yloxy-hex-2-enoate Openeye Name: disodium (E)-4-[(E)-4-[(E)-1-ethyl-3-isopropoxy-1-methyl-2-(4-methylsulfonylphenyl)-4-oxido-4-oxo-but-2-enoxy]-4-oxo-but-2-enoyl]oxy-2-isopropoxy-4-methyl-3-(4-methylsulfonylphenyl)hex-2-enoate CAS Name: disodium (E)-4-methyl-4-[(E)-4-[(E)-3-methyl-4-(4-methylsulfonylphenyl)-6-oxido-6-oxo-5-propan-2-yloxyhex-4-en-3-yl]oxy-1,4-dioxobut-2-enoxy]-3-(4-methylsulfonylphenyl)-2-propan-2-yloxy-2-hexenoate IUPAC Name: disodium (E)-4-methyl-4-[(E)-4-[(E)-3-methyl-4-(4-methylsulfonylphenyl)-6-oxido-6-oxo-5-propan-2-yloxyhex-4-en-3-yl]oxy-4-oxobut-2-enoyl]oxy-3-(4-methylsulfonylphenyl)-2-propan-2-yloxyhex-2-enoate Traditional Name: disodium (E)-4-[(E)-4-[(E)-1-ethyl-3-isopropoxy-4-keto-2-(4-mesylphenyl)-1-methyl-4-oxido-but-2-enoxy]-4-keto-but-2-enoyl]oxy-2-isopropoxy-3-(4-mesylphenyl)-4-methyl-hex-2-enoate Formula: C38H46Na2O14S2 MolecularWeight: 836.87298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=C(C(=O)[O-])OC(C)C)C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)C=CC(=O)OC(C)(CC)C(=C(C(=O)[O-])OC(C)C)C2=CC=C(C=C2)S(=O)(=O)C.[Na+].[Na+]

Isomeric SMILES

CCC(OC(=O)/C=C/C(=O)OC(/C(=C(/OC(C)C)\C(=O)[O-])/C1=CC=C(C=C1)S(=O)(=O)C)(CC)C)(/C(=C(/OC(C)C)\C(=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)C)C.[Na+].[Na+]

InChI

InChI=1S/C38H48O14S2.2Na/c1-11-37(7,31(33(35(41)42)49-23(3)4)25-13-17-27(18-14-25)53(9,45)46)51-29(39)21-22-30(40)52-38(8,12-2)32(34(36(43)44)50-24(5)6)26-15-19-28(20-16-26)54(10,47)48;;/h13-24H,11-12H2,1-10H3,(H,41,42)(H,43,44);;/q;2*+1/p-2/b22-21+,33-31+,34-32+;;