butane; 2-[4-carboxy-6,8-bis(chloranyl)-2,3-dihydrochromen-4-yl]ethanoate

Systemtic Name: butane; 2-[4-carboxy-6,8-bis(chloranyl)-2,3-dihydrochromen-4-yl]ethanoate Openeye Name: butane; 2-(4-carboxy-6,8-dichloro-chroman-4-yl)acetate CAS Name: butane; 2-(4-carboxy-6,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-yl)acetate IUPAC Name: butane; 2-(4-carboxy-6,8-dichloro-2,3-dihydrochromen-4-yl)acetate Traditional Name: 2-(4-carboxy-6,8-dichloro-chroman-4-yl)acetate; n-butane Formula: C16H19Cl2O5- MolecularWeight: 362.22506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1COC2=C(C=C(C=C2C1(CC(=O)[O-])C(=O)O)Cl)Cl

Isomeric SMILES

CCCC.C1COC2=C(C=C(C=C2C1(CC(=O)[O-])C(=O)O)Cl)Cl

InChI

InChI=1S/C12H10Cl2O5.C4H10/c13-6-3-7-10(8(14)4-6)19-2-1-12(7,11(17)18)5-9(15)16;1-3-4-2/h3-4H,1-2,5H2,(H,15,16)(H,17,18);3-4H2,1-2H3/p-1