7-[(Z)-3-bromanyl-6-methyl-hept-2-en-4-yl]oxy-4-methyl-6-octadecyl-chromen-2-one

Systemtic Name: 7-[(Z)-3-bromanyl-6-methyl-hept-2-en-4-yl]oxy-4-methyl-6-octadecyl-chromen-2-one Openeye Name: 7-[(Z)-2-bromo-1-isobutyl-but-2-enoxy]-4-methyl-6-octadecyl-chromen-2-one CAS Name: 7-[(Z)-3-bromo-6-methylhept-2-en-4-yl]oxy-4-methyl-6-octadecyl-1-benzopyran-2-one IUPAC Name: 7-[(Z)-3-bromo-6-methylhept-2-en-4-yl]oxy-4-methyl-6-octadecylchromen-2-one Traditional Name: 7-[(Z)-2-bromo-1-isobutyl-but-2-enoxy]-4-methyl-6-stearyl-coumarin Formula: C36H57BrO3 MolecularWeight: 617.73998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(CC(C)C)C(=CC)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(CC(C)C)/C(=C/C)/Br

InChI

InChI=1S/C36H57BrO3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-26-31-29(5)25-36(38)40-34(31)27-33(30)39-35(24-28(3)4)32(37)7-2/h7,25-28,35H,6,8-24H2,1-5H3/b32-7-