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

Systemtic Name: 4-(octadecanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(octadecanoylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-(1-oxooctadecylamino)naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-(octadecanoylamino)naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-stearamido-naphthalene-2,7-disulfonic acid Formula: C28H43NO8S2 MolecularWeight: 585.77292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43NO8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)29-25-20-23(38(32,33)34)18-22-19-24(39(35,36)37)21-26(30)28(22)25/h18-21,30H,2-17H2,1H3,(H,29,31)(H,32,33,34)(H,35,36,37)