3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalic acid

Systemtic Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[3-(2-hydroxyethylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[3-(2-hydroxyethylthio)propyl]phthalic acid Formula: C18H26O6S2 MolecularWeight: 402.52544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCSCCO)CCCSCCO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1CCCSCCO)CCCSCCO)C(=O)O)C(=O)O

InChI

InChI=1S/C18H26O6S2/c19-7-11-25-9-1-3-13-5-6-15(17(21)22)16(18(23)24)14(13)4-2-10-26-12-8-20/h5-6,19-20H,1-4,7-12H2,(H,21,22)(H,23,24)