4-decylsulfanylnaphthalene-1,2-dicarboxylic acid

Systemtic Name: 4-decylsulfanylnaphthalene-1,2-dicarboxylic acid Openeye Name: 4-decylsulfanylnaphthalene-1,2-dicarboxylic acid CAS Name: 4-(decylthio)naphthalene-1,2-dicarboxylic acid IUPAC Name: 4-decylsulfanylnaphthalene-1,2-dicarboxylic acid Traditional Name: 4-(decylthio)naphthalene-1,2-dicarboxylic acid Formula: C22H28O4S MolecularWeight: 388.52032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC(=C(C2=CC=CC=C21)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=CC(=C(C2=CC=CC=C21)C(=O)O)C(=O)O

InChI

InChI=1S/C22H28O4S/c1-2-3-4-5-6-7-8-11-14-27-19-15-18(21(23)24)20(22(25)26)17-13-10-9-12-16(17)19/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,23,24)(H,25,26)