2-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)ethanesulfonate

Systemtic Name: 2-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)ethanesulfonate Openeye Name: 2-(2-methylbenzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)ethanesulfonate CAS Name: 2-(2-methyl-3-benzofuro[3,2-f][1,3]benzoxazol-3-iumyl)ethanesulfonate IUPAC Name: 2-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)ethanesulfonate Traditional Name: 2-(2-methylbenzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)ethanesulfonate Formula: C16H13NO5S MolecularWeight: 331.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4O3)CCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4O3)CCS(=O)(=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-10-17(6-7-23(18,19)20)13-8-12-11-4-2-3-5-14(11)22-15(12)9-16(13)21-10/h2-5,8-9H,6-7H2,1H3