(E)-3-[4-[(3-chloranyl-4-oxidanyl-phenyl)-cycloheptylidene-methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(3-chloranyl-4-oxidanyl-phenyl)-cycloheptylidene-methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-chloro-4-hydroxy-phenyl)-cycloheptylidene-methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-chloro-4-hydroxyphenyl)-cycloheptylidenemethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(3-chloro-4-hydroxyphenyl)-cycloheptylidenemethyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(3-chloro-4-hydroxy-phenyl)-cycloheptylidene-methyl]phenyl]acrylic acid Formula: C23H23ClO3 MolecularWeight: 382.87992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=C(C2=CC=C(C=C2)C=CC(=O)O)C3=CC(=C(C=C3)O)Cl)CC1

Isomeric SMILES

C1CCCC(=C(C2=CC=C(C=C2)/C=C/C(=O)O)C3=CC(=C(C=C3)O)Cl)CC1

InChI

InChI=1S/C23H23ClO3/c24-20-15-19(12-13-21(20)25)23(17-5-3-1-2-4-6-17)18-10-7-16(8-11-18)9-14-22(26)27/h7-15,25H,1-6H2,(H,26,27)/b14-9+