(E)-3-ethyl-2-[(E)-2-phenyl-1-sulfo-ethenyl]non-2-enoate

Systemtic Name: (E)-3-ethyl-2-[(E)-2-phenyl-1-sulfo-ethenyl]non-2-enoate Openeye Name: (E)-3-ethyl-2-[(E)-2-phenyl-1-sulfo-vinyl]non-2-enoate CAS Name: (E)-3-ethyl-2-[(E)-2-phenyl-1-sulfoethenyl]-2-nonenoate IUPAC Name: (E)-3-ethyl-2-[(E)-2-phenyl-1-sulfoethenyl]non-2-enoate Traditional Name: (E)-3-ethyl-2-[(E)-2-phenyl-1-sulfo-vinyl]non-2-enoate Formula: C19H25O5S- MolecularWeight: 365.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C(C(=CC1=CC=CC=C1)S(=O)(=O)O)C(=O)[O-])CC

Isomeric SMILES

CCCCCC/C(=C(/C(=C\C1=CC=CC=C1)/S(=O)(=O)O)\C(=O)[O-])/CC

InChI

InChI=1S/C19H26O5S/c1-3-5-6-10-13-16(4-2)18(19(20)21)17(25(22,23)24)14-15-11-8-7-9-12-15/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,20,21)(H,22,23,24)/p-1/b17-14+,18-16-