3-(1-phenylhexylamino)-2-sulfo-propanoic acid

Systemtic Name: 3-(1-phenylhexylamino)-2-sulfo-propanoic acid Openeye Name: 3-(1-phenylhexylamino)-2-sulfo-propanoic acid CAS Name: 3-(1-phenylhexylamino)-2-sulfopropanoic acid IUPAC Name: 3-(1-phenylhexylamino)-2-sulfopropanoic acid Traditional Name: 3-(1-phenylhexylamino)-2-sulfo-propionic acid Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)NCC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)NCC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H23NO5S/c1-2-3-5-10-13(12-8-6-4-7-9-12)16-11-14(15(17)18)22(19,20)21/h4,6-9,13-14,16H,2-3,5,10-11H2,1H3,(H,17,18)(H,19,20,21)