ethyl 5-(2-dodecylphenyl)-5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-pentanoate

Systemtic Name: ethyl 5-(2-dodecylphenyl)-5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-pentanoate Openeye Name: ethyl 5-(2-dodecylphenyl)-4-hydroxy-5-(3-methoxy-3-oxo-propyl)sulfanyl-pentanoate CAS Name: 5-(2-dodecylphenyl)-4-hydroxy-5-[(3-methoxy-3-oxopropyl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-(2-dodecylphenyl)-4-hydroxy-5-(3-methoxy-3-oxopropyl)sulfanylpentanoate Traditional Name: 4-hydroxy-5-[(3-keto-3-methoxy-propyl)thio]-5-(2-laurylphenyl)valeric acid ethyl ester Formula: C29H48O5S MolecularWeight: 508.75342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(CCC(=O)OCC)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(CCC(=O)OCC)O)SCCC(=O)OC

InChI

InChI=1S/C29H48O5S/c1-4-6-7-8-9-10-11-12-13-14-17-24-18-15-16-19-25(24)29(35-23-22-27(31)33-3)26(30)20-21-28(32)34-5-2/h15-16,18-19,26,29-30H,4-14,17,20-23H2,1-3H3