5-[2-(6-phenylhexoxy)phenyl]-4,6-bis(sulfanylidene)nonanedioic acid

Systemtic Name: 5-[2-(6-phenylhexoxy)phenyl]-4,6-bis(sulfanylidene)nonanedioic acid Openeye Name: 5-[2-(6-phenylhexoxy)phenyl]-4,6-dithioxo-nonanedioic acid CAS Name: 5-[2-(6-phenylhexoxy)phenyl]-4,6-bis(sulfanylidene)nonanedioic acid IUPAC Name: 5-[2-(6-phenylhexoxy)phenyl]-4,6-bis(sulfanylidene)nonanedioic acid Traditional Name: 5-[2-(6-phenylhexoxy)phenyl]-4,6-dithioxo-azelaic acid Formula: C27H32O5S2 MolecularWeight: 500.66998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=CC=CC=C2C(C(=S)CCC(=O)O)C(=S)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=CC=CC=C2C(C(=S)CCC(=O)O)C(=S)CCC(=O)O

InChI

InChI=1S/C27H32O5S2/c28-25(29)17-15-23(33)27(24(34)16-18-26(30)31)21-13-7-8-14-22(21)32-19-9-2-1-4-10-20-11-5-3-6-12-20/h3,5-8,11-14,27H,1-2,4,9-10,15-19H2,(H,28,29)(H,30,31)