2-dodecoxycarbonyl-5-sulfo-benzoic acid

Systemtic Name: 2-dodecoxycarbonyl-5-sulfo-benzoic acid Openeye Name: 2-dodecoxycarbonyl-5-sulfo-benzoic acid CAS Name: 2-[dodecoxy(oxo)methyl]-5-sulfobenzoic acid IUPAC Name: 2-dodecoxycarbonyl-5-sulfobenzoic acid Traditional Name: 2-lauryloxycarbonyl-5-sulfo-benzoic acid Formula: C20H30O7S MolecularWeight: 414.513

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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

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H30O7S/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)