8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid CAS Name: 8-(1-oxohexadecylamino)naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-palmitamidonaphthalene-1,3,6-trisulfonic acid Formula: C26H39NO10S3 MolecularWeight: 621.78356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H39NO10S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(28)27-23-18-21(38(29,30)31)16-20-17-22(39(32,33)34)19-24(26(20)23)40(35,36)37/h16-19H,2-15H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)