calcium 2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoic acid

Systemtic Name: calcium 2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoic acid Openeye Name: calcium 2-(4-allyloxy-3-chloro-phenyl)acetic acid CAS Name: calcium 2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid IUPAC Name: calcium 2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid Traditional Name: calcium 2-(4-allyloxy-3-chloro-phenyl)acetic acid Formula: C11H11CaClO3+2 MolecularWeight: 266.73424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl.[Ca+2]

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl.[Ca+2]

InChI

InChI=1S/C11H11ClO3.Ca/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14;/h2-4,6H,1,5,7H2,(H,13,14);/q;+2