butan-1-ol; (E)-4-oxidanylidene-4-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-but-2-enoic acid

Systemtic Name: butan-1-ol; (E)-4-oxidanylidene-4-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-but-2-enoic acid Openeye Name: butan-1-ol; (E)-4-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-4-oxo-but-2-enoic acid CAS Name: 1-butanol; (E)-4-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]-4-oxo-2-butenoic acid IUPAC Name: butan-1-ol; (E)-4-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxy-4-oxobut-2-enoic acid Traditional Name: butan-1-ol; (E)-4-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-4-keto-but-2-enoic acid Formula: C12H16O8 MolecularWeight: 288.25064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.C(=CC(=O)OC(=O)C=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCO.C(=C/C(=O)OC(=O)/C=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H6O7.C4H10O/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12;1-2-3-4-5/h1-4H,(H,9,10)(H,11,12);5H,2-4H2,1H3/b3-1+,4-2+;