hex-1-en-3-one; 4-pentoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hydrate

Systemtic Name: hex-1-en-3-one; 4-pentoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hydrate Openeye Name: hex-1-en-3-one; 4-pentoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hydrate CAS Name: 1-hexen-3-one; 4-pentoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hydrate IUPAC Name: hex-1-en-3-one; 4-pentoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hydrate Traditional Name: 4-amoxybicyclo[3.1.0]hexa-1(6),2,4-triene; hex-1-en-3-one; hydrate Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C=C2C=C1.CCCC(=O)C=C.O

Isomeric SMILES

CCCCCOC1=C2C=C2C=C1.CCCC(=O)C=C.O

InChI

InChI=1S/C11H14O.C6H10O.H2O/c1-2-3-4-7-12-11-6-5-9-8-10(9)11;1-3-5-6(7)4-2;/h5-6,8H,2-4,7H2,1H3;4H,2-3,5H2,1H3;1H2