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

Systemtic Name: 8-[(Z)-3-bromanyl-6-methyl-hept-3-en-2-yl]-6-octadecyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[(Z)-2-bromo-1,5-dimethyl-hex-2-enyl]-7-hydroxy-6-octadecyl-chromen-2-one CAS Name: 8-[(Z)-3-bromo-6-methylhept-3-en-2-yl]-7-hydroxy-6-octadecyl-1-benzopyran-2-one IUPAC Name: 8-[(Z)-3-bromo-6-methylhept-3-en-2-yl]-7-hydroxy-6-octadecylchromen-2-one Traditional Name: 8-[(Z)-2-bromo-1,5-dimethyl-hex-2-enyl]-7-hydroxy-6-stearyl-coumarin Formula: C35H55BrO3 MolecularWeight: 603.7134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55BrO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-26-30-23-25-32(37)39-35(30)33(34(29)38)28(4)31(36)24-22-27(2)3/h23-28,38H,5-22H2,1-4H3/b31-24-