ethyl 2-[2,2-dimethyl-7-(2-methyloctan-2-yl)-4-oxidanyl-5-phenylmethoxy-3H-chromen-4-yl]ethanoate

Systemtic Name: ethyl 2-[2,2-dimethyl-7-(2-methyloctan-2-yl)-4-oxidanyl-5-phenylmethoxy-3H-chromen-4-yl]ethanoate Openeye Name: ethyl 2-[5-benzyloxy-7-(1,1-dimethylheptyl)-4-hydroxy-2,2-dimethyl-chroman-4-yl]acetate CAS Name: 2-[4-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3H-chromen-4-yl]acetate Traditional Name: 2-[5-benzoxy-7-(1,1-dimethylheptyl)-4-hydroxy-2,2-dimethyl-chroman-4-yl]acetic acid ethyl ester Formula: C31H44O5 MolecularWeight: 496.67806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(CC(O2)(C)C)(CC(=O)OCC)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(CC(O2)(C)C)(CC(=O)OCC)O

InChI

InChI=1S/C31H44O5/c1-7-9-10-14-17-29(3,4)24-18-25(35-21-23-15-12-11-13-16-23)28-26(19-24)36-30(5,6)22-31(28,33)20-27(32)34-8-2/h11-13,15-16,18-19,33H,7-10,14,17,20-22H2,1-6H3