2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(naphthalen-2-ylmethoxy)inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(naphthalen-2-ylmethoxy)inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylene]-6-(2-naphthylmethoxy)inden-1-yl]acetic acid CAS Name: 2-[(3E)-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-6-(2-naphthalenylmethoxy)-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(naphthalen-2-ylmethoxy)inden-1-yl]acetic acid Traditional Name: 2-[(3E)-2-methyl-3-[4-(methylthio)benzylidene]-6-(2-naphthylmethoxy)inden-1-yl]acetic acid Formula: C31H26O3S MolecularWeight: 478.60134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)OCC4=CC5=CC=CC=C5C=C4)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)OCC4=CC5=CC=CC=C5C=C4)CC(=O)O

InChI

InChI=1S/C31H26O3S/c1-20-28(16-21-8-12-26(35-2)13-9-21)27-14-11-25(17-30(27)29(20)18-31(32)33)34-19-22-7-10-23-5-3-4-6-24(23)15-22/h3-17H,18-19H2,1-2H3,(H,32,33)/b28-16+