2-(5-sulfo-1H-phenalen-1-yl)ethanoic acid

Systemtic Name: 2-(5-sulfo-1H-phenalen-1-yl)ethanoic acid Openeye Name: 2-(5-sulfo-1H-phenalen-1-yl)acetic acid CAS Name: 2-(5-sulfo-1H-phenalen-1-yl)acetic acid IUPAC Name: 2-(5-sulfo-1H-phenalen-1-yl)acetic acid Traditional Name: 2-(5-sulfo-1H-phenalen-1-yl)acetic acid Formula: C15H12O5S MolecularWeight: 304.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(C=C3)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(C=C3)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12O5S/c16-14(17)8-9-4-5-11-7-12(21(18,19)20)6-10-2-1-3-13(9)15(10)11/h1-7,9H,8H2,(H,16,17)(H,18,19,20)