2-pentadecylbenzo[e][1,3]benzoxazole-5-sulfonic acid

Systemtic Name: 2-pentadecylbenzo[e][1,3]benzoxazole-5-sulfonic acid Openeye Name: 2-pentadecylbenzo[e][1,3]benzoxazole-5-sulfonic acid CAS Name: 2-pentadecyl-5-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-pentadecylbenzo[e][1,3]benzoxazole-5-sulfonic acid Traditional Name: 2-pentadecylbenzo[e][1,3]benzoxazole-5-sulfonic acid Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NC2=C(O1)C=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NC2=C(O1)C=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C26H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-27-26-22-18-16-15-17-21(22)24(32(28,29)30)20-23(26)31-25/h15-18,20H,2-14,19H2,1H3,(H,28,29,30)