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

Systemtic Name: 3,4-bis[3-(3-ethoxycarbonylhexylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[3-(3-ethoxycarbonylhexylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[3-(3-ethoxycarbonylhexylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[3-(3-ethoxycarbonylhexylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[3-(3-carbethoxyhexylthio)propyl]phthalic acid Formula: C32H50O8S2 MolecularWeight: 626.8646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C32H50O8S2/c1-5-11-24(31(37)39-7-3)17-21-41-19-9-13-23-15-16-27(29(33)34)28(30(35)36)26(23)14-10-20-42-22-18-25(12-6-2)32(38)40-8-4/h15-16,24-25H,5-14,17-22H2,1-4H3,(H,33,34)(H,35,36)