4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)heptanoyloxy]benzoic acid

Systemtic Name: 4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)heptanoyloxy]benzoic acid Openeye Name: 4-[2-(1,1,3,3-tetramethylindan-5-yl)heptanoyloxy]benzoic acid CAS Name: 4-[1-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)heptoxy]benzoic acid IUPAC Name: 4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)heptanoyloxy]benzoic acid Traditional Name: 4-[2-(1,1,3,3-tetramethylindan-5-yl)heptanoyloxy]benzoic acid Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC2=C(C=C1)C(CC2(C)C)(C)C)C(=O)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC2=C(C=C1)C(CC2(C)C)(C)C)C(=O)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H34O4/c1-6-7-8-9-21(25(30)31-20-13-10-18(11-14-20)24(28)29)19-12-15-22-23(16-19)27(4,5)17-26(22,2)3/h10-16,21H,6-9,17H2,1-5H3,(H,28,29)