2-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methylsulfanyl]benzoic acid Openeye Name: 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylsulfanyl]benzoic acid CAS Name: 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylthio]benzoic acid IUPAC Name: 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylsulfanyl]benzoic acid Traditional Name: 2-[(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-ylidene)methylthio]benzoic acid Formula: C14H12O6S MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CSC2=CC=CC=C2C(=O)O)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CSC2=CC=CC=C2C(=O)O)C(=O)O1)C

InChI

InChI=1S/C14H12O6S/c1-14(2)19-12(17)9(13(18)20-14)7-21-10-6-4-3-5-8(10)11(15)16/h3-7H,1-2H3,(H,15,16)