(Z)-1,3-bis(3,4-dimethylphenyl)prop-1-ene-1,3-diol; copper

Systemtic Name: (Z)-1,3-bis(3,4-dimethylphenyl)prop-1-ene-1,3-diol; copper Openeye Name: (Z)-1,3-bis(3,4-dimethylphenyl)prop-1-ene-1,3-diol; copper CAS Name: (Z)-1,3-bis(3,4-dimethylphenyl)-1-propene-1,3-diol; copper IUPAC Name: (Z)-1,3-bis(3,4-dimethylphenyl)prop-1-ene-1,3-diol; copper Traditional Name: (Z)-1,3-bis(3,4-dimethylphenyl)prop-1-ene-1,3-diol; copper Formula: C38H44CuO4 MolecularWeight: 628.29956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C=C(C2=CC(=C(C=C2)C)C)O)O)C.CC1=C(C=C(C=C1)C(C=C(C2=CC(=C(C=C2)C)C)O)O)C.[Cu]

Isomeric SMILES

CC1=C(C=C(C=C1)C(O)/C=C(\O)/C2=CC(=C(C=C2)C)C)C.CC1=C(C=C(C=C1)C(O)/C=C(\O)/C2=CC(=C(C=C2)C)C)C.[Cu]

InChI

InChI=1S/2C19H22O2.Cu/c2*1-12-5-7-16(9-14(12)3)18(20)11-19(21)17-8-6-13(2)15(4)10-17;/h2*5-11,18,20-21H,1-4H3;/b2*19-11-;