4-[(E)-2-(1,1,3,3-tetramethyl-6-pentyl-2H-inden-5-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-pentyl-2H-inden-5-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-pentyl-indan-5-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-pentyl-2H-inden-5-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-pentyl-2H-inden-5-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(6-amyl-1,1,3,3-tetramethyl-indan-5-yl)prop-1-enyl]benzoic acid Formula: C28H36O2 MolecularWeight: 404.58424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)O)C)C(CC2(C)C)(C)C

Isomeric SMILES

CCCCCC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/C)C(CC2(C)C)(C)C

InChI

InChI=1S/C28H36O2/c1-7-8-9-10-22-16-24-25(28(5,6)18-27(24,3)4)17-23(22)19(2)15-20-11-13-21(14-12-20)26(29)30/h11-17H,7-10,18H2,1-6H3,(H,29,30)/b19-15+