4-[(E)-dodec-1-enoxy]-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[(E)-dodec-1-enoxy]-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[(E)-dodec-1-enoxy]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-[(E)-dodec-1-enoxy]-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-[(E)-dodec-1-enoxy]-4-oxo-3-sulfobutanoic acid Traditional Name: 4-[(E)-dodec-1-enoxy]-4-keto-3-sulfo-butyric acid Formula: C16H28O7S MolecularWeight: 364.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=COC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H28O7S/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,20,21,22)/b12-11+