(E,3S,10S)-3,7-dimethyl-11-oxidanylidene-12-(phenylsulfinyl)-10-propan-2-yl-dodec-6-enal

Systemtic Name: (E,3S,10S)-3,7-dimethyl-11-oxidanylidene-12-(phenylsulfinyl)-10-propan-2-yl-dodec-6-enal Openeye Name: (E,3S,10S)-12-(benzenesulfinyl)-10-isopropyl-3,7-dimethyl-11-oxo-dodec-6-enal CAS Name: (E,3S,10S)-12-(benzenesulfinyl)-3,7-dimethyl-11-oxo-10-propan-2-yl-6-dodecenal IUPAC Name: (E,3S,10S)-12-(benzenesulfinyl)-3,7-dimethyl-11-oxo-10-propan-2-yldodec-6-enal Traditional Name: (E,3S,10S)-12-(benzenesulfinyl)-10-isopropyl-11-keto-3,7-dimethyl-dodec-6-enal Formula: C23H34O3S MolecularWeight: 390.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=CCCC(C)CC=O)C)C(=O)CS(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC/C=C(\C)/CC[C@@H](C(C)C)C(=O)CS(=O)C1=CC=CC=C1)CC=O

InChI

InChI=1S/C23H34O3S/c1-18(2)22(14-13-19(3)9-8-10-20(4)15-16-24)23(25)17-27(26)21-11-6-5-7-12-21/h5-7,9,11-12,16,18,20,22H,8,10,13-15,17H2,1-4H3/b19-9+/t20-,22-,27?/m0/s1