4-(hexadecanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(hexadecanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(hexadecanoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-(1-oxohexadecylamino)naphthalene-2,7-disulfonic acid IUPAC Name: 4-(hexadecanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-palmitamido-naphthalene-2,7-disulfonic acid Formula: C26H39NO8S2 MolecularWeight: 557.71976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C26H39NO8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(29)27-23-18-21(36(30,31)32)16-20-17-22(37(33,34)35)19-24(28)26(20)23/h16-19,28H,2-15H2,1H3,(H,27,29)(H,30,31,32)(H,33,34,35)