4-(hexadecanoylamino)-3-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-(hexadecanoylamino)-3-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-(hexadecanoylamino)-3-hydroxy-naphthalene-1-sulfonic acid CAS Name: 3-hydroxy-4-(1-oxohexadecylamino)-1-naphthalenesulfonic acid IUPAC Name: 4-(hexadecanoylamino)-3-hydroxynaphthalene-1-sulfonic acid Traditional Name: 3-hydroxy-4-palmitamido-naphthalene-1-sulfonic acid Formula: C26H39NO5S MolecularWeight: 477.65656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)O

InChI

InChI=1S/C26H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)27-26-22-18-16-15-17-21(22)24(20-23(26)28)33(30,31)32/h15-18,20,28H,2-14,19H2,1H3,(H,27,29)(H,30,31,32)