benzene; but-1-ene; 2-ethyloxirane; 2-methyloxirane; octane; octan-1-ol; phenol; prop-1-ene

Systemtic Name: benzene; but-1-ene; 2-ethyloxirane; 2-methyloxirane; octane; octan-1-ol; phenol; prop-1-ene Openeye Name: benzene; but-1-ene; 2-ethyloxirane; 2-methyloxirane; octane; octan-1-ol; phenol; prop-1-ene CAS Name: benzene; 1-butene; 2-ethyloxirane; 2-methyloxirane; octane; 1-octanol; phenol; 1-propene IUPAC Name: benzene; but-1-ene; 2-ethyloxirane; 2-methyloxirane; octane; octan-1-ol; phenol; prop-1-ene Traditional Name: benzene; but-1-ene; 2-ethyloxirane; n-octane; octan-1-ol; phenol; prop-1-ene; propylene oxide Formula: C42H76O4 MolecularWeight: 645.05044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCCCCCCCO.CCC=C.CCC1CO1.CC=C.CC1CO1.C1=CC=CC=C1.C1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCC.CCCCCCCCO.CCC=C.CCC1CO1.CC=C.CC1CO1.C1=CC=CC=C1.C1=CC=C(C=C1)O

InChI

InChI=1S/C8H18O.C8H18.C6H6O.C6H6.C4H8O.C4H8.C3H6O.C3H6/c1-2-3-4-5-6-7-8-9;1-3-5-7-8-6-4-2;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-4-3-5-4;1-3-4-2;1-3-2-4-3;1-3-2/h9H,2-8H2,1H3;3-8H2,1-2H3;1-5,7H;1-6H;4H,2-3H2,1H3;3H,1,4H2,2H3;3H,2H2,1H3;3H,1H2,2H3