disodium 2-dodecoxycarbonyl-5-sulfonato-benzoate

Systemtic Name: disodium 2-dodecoxycarbonyl-5-sulfonato-benzoate Openeye Name: disodium 2-dodecoxycarbonyl-5-sulfonato-benzoate CAS Name: disodium 2-[dodecoxy(oxo)methyl]-5-sulfonatobenzoate IUPAC Name: disodium 2-dodecoxycarbonyl-5-sulfonatobenzoate Traditional Name: disodium 2-lauryloxycarbonyl-5-sulfonato-benzoate Formula: C20H28Na2O7S MolecularWeight: 458.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-27-20(23)17-13-12-16(28(24,25)26)15-18(17)19(21)22;;/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,24,25,26);;/q;2*+1/p-2