phenethylbenzene hydrate

Systemtic Name: phenethylbenzene hydrate Openeye Name: phenethylbenzene hydrate CAS Name: phenethylbenzene hydrate IUPAC Name: phenethylbenzene hydrate Traditional Name: phenethylbenzene hydrate Formula: C28H30O MolecularWeight: 382.5372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC=C(C=C1)CCC2=CC=CC=C2.O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC=C(C=C1)CCC2=CC=CC=C2.O

InChI

InChI=1S/2C14H14.H2O/c2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2;1H2