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

Systemtic Name: 4-ethoxybicyclo[3.1.0]hexa-1(6),2,4-triene; oct-1-en-3-one; hydrate Openeye Name: 4-ethoxybicyclo[3.1.0]hexa-1(6),2,4-triene; oct-1-en-3-one; hydrate CAS Name: 4-ethoxybicyclo[3.1.0]hexa-1(6),2,4-triene; 1-octen-3-one; hydrate IUPAC Name: 4-ethoxybicyclo[3.1.0]hexa-1(6),2,4-triene; oct-1-en-3-one; hydrate Traditional Name: 4-ethoxybicyclo[3.1.0]hexa-1(6),2,4-triene; oct-1-en-3-one; hydrate Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=C.CCOC1=C2C=C2C=C1.O

Isomeric SMILES

CCCCCC(=O)C=C.CCOC1=C2C=C2C=C1.O

InChI

InChI=1S/C8H8O.C8H14O.H2O/c1-2-9-8-4-3-6-5-7(6)8;1-3-5-6-7-8(9)4-2;/h3-5H,2H2,1H3;4H,2-3,5-7H2,1H3;1H2