disodium 4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]heptanoate

Systemtic Name: disodium 4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]heptanoate Openeye Name: disodium 4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]heptanoate CAS Name: disodium 4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]heptanoate IUPAC Name: disodium 4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]heptanoate Traditional Name: disodium 4-carbethoxy-2-ethyl-6-[4-(4-sulfonatobutoxy)phenyl]enanthate Formula: C22H32Na2O8S MolecularWeight: 502.52922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C(=O)OCC)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C(=O)OCC)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H34O8S.2Na/c1-4-17(21(23)24)15-19(22(25)29-5-2)14-16(3)18-8-10-20(11-9-18)30-12-6-7-13-31(26,27)28;;/h8-11,16-17,19H,4-7,12-15H2,1-3H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2