2-[(E)-4-(4-chloranyl-2H-chromen-3-yl)but-3-en-2-ylidene]propanedioic acid

Systemtic Name: 2-[(E)-4-(4-chloranyl-2H-chromen-3-yl)but-3-en-2-ylidene]propanedioic acid Openeye Name: 2-[(E)-3-(4-chloro-2H-chromen-3-yl)-1-methyl-prop-2-enylidene]propanedioic acid CAS Name: 2-[(E)-4-(4-chloro-2H-1-benzopyran-3-yl)but-3-en-2-ylidene]propanedioic acid IUPAC Name: 2-[(E)-4-(4-chloro-2H-chromen-3-yl)but-3-en-2-ylidene]propanedioic acid Traditional Name: 2-[(E)-3-(4-chloro-2H-chromen-3-yl)-1-methyl-prop-2-enylidene]malonic acid Formula: C16H13ClO5 MolecularWeight: 320.72442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)C(=O)O)C=CC1=C(C2=CC=CC=C2OC1)Cl

Isomeric SMILES

CC(=C(C(=O)O)C(=O)O)/C=C/C1=C(C2=CC=CC=C2OC1)Cl

InChI

InChI=1S/C16H13ClO5/c1-9(13(15(18)19)16(20)21)6-7-10-8-22-12-5-3-2-4-11(12)14(10)17/h2-7H,8H2,1H3,(H,18,19)(H,20,21)/b7-6+