[(2Z)-1,3-bis(oxidanylidene)-2-(oxidanylmethylidene)inden-5-yl] 2-dodecylsulfanylethanoate

Systemtic Name: [(2Z)-1,3-bis(oxidanylidene)-2-(oxidanylmethylidene)inden-5-yl] 2-dodecylsulfanylethanoate Openeye Name: [(2Z)-2-(hydroxymethylene)-1,3-dioxo-indan-5-yl] 2-dodecylsulfanylacetate CAS Name: 2-(dodecylthio)acetic acid [(2Z)-2-(hydroxymethylidene)-1,3-dioxo-5-indenyl] ester IUPAC Name: [(2Z)-2-(hydroxymethylidene)-1,3-dioxoinden-5-yl] 2-dodecylsulfanylacetate Traditional Name: 2-(laurylthio)acetic acid [(2Z)-2-(hydroxymethylene)-1,3-diketo-indan-5-yl] ester Formula: C24H32O5S MolecularWeight: 432.57288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO)C2=O

Isomeric SMILES

CCCCCCCCCCCCSCC(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/O)/C2=O

InChI

InChI=1S/C24H32O5S/c1-2-3-4-5-6-7-8-9-10-11-14-30-17-22(26)29-18-12-13-19-20(15-18)24(28)21(16-25)23(19)27/h12-13,15-16,25H,2-11,14,17H2,1H3/b21-16-