1-butyl-4-[(E)-2-chloranyl-1,2-diphenyl-ethenyl]benzene; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-butyl-4-[(E)-2-chloranyl-1,2-diphenyl-ethenyl]benzene; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 1-butyl-4-[(E)-2-chloro-1,2-diphenyl-vinyl]benzene; citric acid CAS Name: 1-butyl-4-[(E)-2-chloro-1,2-diphenylethenyl]benzene; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-butyl-4-[(E)-2-chloro-1,2-diphenylethenyl]benzene; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-butyl-4-[(E)-2-chloro-1,2-diphenyl-vinyl]benzene; citric acid Formula: C30H31ClO7 MolecularWeight: 539.01594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H23Cl.C6H8O7/c1-2-3-10-19-15-17-21(18-16-19)23(20-11-6-4-7-12-20)24(25)22-13-8-5-9-14-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9,11-18H,2-3,10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b24-23+;