1-chloranyl-4-methyl-benzene; (E)-3-(4-methylphenyl)prop-2-enoic acid

Systemtic Name: 1-chloranyl-4-methyl-benzene; (E)-3-(4-methylphenyl)prop-2-enoic acid Openeye Name: 1-chloro-4-methyl-benzene; (E)-3-(p-tolyl)prop-2-enoic acid CAS Name: 1-chloro-4-methylbenzene; (E)-3-(4-methylphenyl)-2-propenoic acid IUPAC Name: 1-chloro-4-methylbenzene; (E)-3-(4-methylphenyl)prop-2-enoic acid Traditional Name: 1-chloro-4-methyl-benzene; (E)-3-(p-tolyl)acrylic acid Formula: C17H17ClO2 MolecularWeight: 288.76868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)O.CC1=CC=C(C=C1)Cl

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)O.CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H10O2.C7H7Cl/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-6-2-4-7(8)5-3-6/h2-7H,1H3,(H,11,12);2-5H,1H3/b7-6+;