1,1-diethoxyethane; (5E,9E)-10-phenyl-2,8-bis(sulfanyl)deca-5,9-dienoic acid

Systemtic Name: 1,1-diethoxyethane; (5E,9E)-10-phenyl-2,8-bis(sulfanyl)deca-5,9-dienoic acid Openeye Name: 1,1-diethoxyethane; (5E,9E)-10-phenyl-2,8-bis(sulfanyl)deca-5,9-dienoic acid CAS Name: 1,1-diethoxyethane; (5E,9E)-2,8-dimercapto-10-phenyldeca-5,9-dienoic acid IUPAC Name: 1,1-diethoxyethane; (5E,9E)-10-phenyl-2,8-bis(sulfanyl)deca-5,9-dienoic acid Traditional Name: 1,1-diethoxyethane; (5E,9E)-2,8-dimercapto-10-phenyl-deca-5,9-dienoic acid Formula: C22H34O4S2 MolecularWeight: 426.63296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OCC.C1=CC=C(C=C1)C=CC(CC=CCCC(C(=O)O)S)S

Isomeric SMILES

CCOC(C)OCC.C1=CC=C(C=C1)/C=C/C(C/C=C/CCC(C(=O)O)S)S

InChI

InChI=1S/C16H20O2S2.C6H14O2/c17-16(18)15(20)10-6-2-5-9-14(19)12-11-13-7-3-1-4-8-13;1-4-7-6(3)8-5-2/h1-5,7-8,11-12,14-15,19-20H,6,9-10H2,(H,17,18);6H,4-5H2,1-3H3/b5-2+,12-11+;