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4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid

4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid

Systemtic Name:4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid
Openeye Name:4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid
CAS Name:4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid
IUPAC Name:4-ethoxycarbonyl-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]heptanoic acid
Traditional Name:4-carbethoxy-2-ethyl-6-[4-(4-sulfobutoxy)phenyl]enanthic acid
Formula: C22H34O8S
MolecularWeight: 458.56556
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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


Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C(=O)OCC)C(=O)O


InChI

InChI=1S/C22H34O8S/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)


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