2-butyl-5-pentyl-4-sulfo-benzoic acid

Systemtic Name: 2-butyl-5-pentyl-4-sulfo-benzoic acid Openeye Name: 2-butyl-5-pentyl-4-sulfo-benzoic acid CAS Name: 2-butyl-5-pentyl-4-sulfobenzoic acid IUPAC Name: 2-butyl-5-pentyl-4-sulfobenzoic acid Traditional Name: 5-amyl-2-butyl-4-sulfo-benzoic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C(=O)O)CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C(=O)O)CCCC)S(=O)(=O)O

InChI

InChI=1S/C16H24O5S/c1-3-5-7-9-13-10-14(16(17)18)12(8-6-4-2)11-15(13)22(19,20)21/h10-11H,3-9H2,1-2H3,(H,17,18)(H,19,20,21)