3-chloranyl-4-[(E)-2-(8-cyclohexa-1,5-dien-1-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[(E)-2-(8-cyclohexa-1,5-dien-1-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Openeye Name: 3-chloro-4-[(E)-2-(8-cyclohexa-1,5-dien-1-yl-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoic acid CAS Name: 3-chloro-4-[(E)-2-[8-(1-cyclohexa-1,5-dienyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 3-chloro-4-[(E)-2-(8-cyclohexa-1,5-dien-1-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Traditional Name: 3-chloro-4-[(E)-2-(8-cyclohexa-1,5-dien-1-yl-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoic acid Formula: C27H25ClO2 MolecularWeight: 416.9392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=CC3=C(C=C(C=C3)C(=O)O)Cl)C4=CCCC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=C(C=C(C=C3)C(=O)O)Cl)C4=CCCC=C4)C

InChI

InChI=1S/C27H25ClO2/c1-27(2)15-14-22(19-6-4-3-5-7-19)23-16-18(9-13-24(23)27)8-10-20-11-12-21(26(29)30)17-25(20)28/h4,6-14,16-17H,3,5,15H2,1-2H3,(H,29,30)/b10-8+