4-[(Z)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate

Systemtic Name: 4-[(Z)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate Openeye Name: 4-[(Z)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)prop-1-enyl]benzoate IUPAC Name: 4-[(Z)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(Z)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoate Formula: C21H21O3- MolecularWeight: 321.38964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)[O-])C2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)[O-])/C2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C21H22O3/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/p-1/b14-12-