methyl 3-[[12-methyl-6-oxidanyl-2,5-bis(oxidanylidene)-1-oxacyclododec-4-yl]sulfanyl]-2-oxidanyl-propanoate

Systemtic Name: methyl 3-[[12-methyl-6-oxidanyl-2,5-bis(oxidanylidene)-1-oxacyclododec-4-yl]sulfanyl]-2-oxidanyl-propanoate Openeye Name: methyl 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulfanyl]propanoate CAS Name: 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulfanyl]propanoate Traditional Name: 2-hydroxy-3-[(6-hydroxy-2,5-diketo-12-methyl-oxacyclododec-4-yl)thio]propionic acid methyl ester Formula: C16H26O7S MolecularWeight: 362.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCC(C(=O)C(CC(=O)O1)SCC(C(=O)OC)O)O

Isomeric SMILES

CC1CCCCCC(C(=O)C(CC(=O)O1)SCC(C(=O)OC)O)O

InChI

InChI=1S/C16H26O7S/c1-10-6-4-3-5-7-11(17)15(20)13(8-14(19)23-10)24-9-12(18)16(21)22-2/h10-13,17-18H,3-9H2,1-2H3