2-methyl-3-[(E)-3-[2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)heptanoyloxy]prop-2-enyl]butanedioic acid

Systemtic Name: 2-methyl-3-[(E)-3-[2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)heptanoyloxy]prop-2-enyl]butanedioic acid Openeye Name: 2-[(E)-3-[2-(2-hydroxy-1-methyl-2-oxo-ethyl)heptanoyloxy]allyl]-3-methyl-butanedioic acid CAS Name: 2-[(E)-3-[2-(1-hydroxy-1-oxopropan-2-yl)-1-oxoheptoxy]prop-2-enyl]-3-methylbutanedioic acid IUPAC Name: 2-[(E)-3-[2-(1-hydroxy-1-oxopropan-2-yl)heptanoyloxy]prop-2-enyl]-3-methylbutanedioic acid Traditional Name: 2-[(E)-3-[2-(2-hydroxy-2-keto-1-methyl-ethyl)heptanoyloxy]allyl]-3-methyl-succinic acid Formula: C18H28O8 MolecularWeight: 372.41012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C(=O)O)C(=O)OC=CCC(C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(C(C)C(=O)O)C(=O)O/C=C/CC(C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H28O8/c1-4-5-6-8-14(12(3)16(21)22)18(25)26-10-7-9-13(17(23)24)11(2)15(19)20/h7,10-14H,4-6,8-9H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)/b10-7+