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

Systemtic Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-octyl-indan-5-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1,1,3,3-tetramethyl-6-octyl-indan-5-yl)prop-1-enyl]benzoic acid Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)O)C)C(CC2(C)C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/C)C(CC2(C)C)(C)C

InChI

InChI=1S/C31H42O2/c1-7-8-9-10-11-12-13-25-19-27-28(31(5,6)21-30(27,3)4)20-26(25)22(2)18-23-14-16-24(17-15-23)29(32)33/h14-20H,7-13,21H2,1-6H3,(H,32,33)/b22-18+