4-methyl-7-[(E)-2-oxidanylidenenonadec-10-enyl]chromen-2-one

Systemtic Name: 4-methyl-7-[(E)-2-oxidanylidenenonadec-10-enyl]chromen-2-one Openeye Name: 4-methyl-7-[(E)-2-oxononadec-10-enyl]chromen-2-one CAS Name: 4-methyl-7-[(E)-2-oxononadec-10-enyl]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[(E)-2-oxononadec-10-enyl]chromen-2-one Traditional Name: 7-[(E)-2-ketononadec-10-enyl]-4-methyl-coumarin Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)CC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C29H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)22-25-19-20-27-24(2)21-29(31)32-28(27)23-25/h10-11,19-21,23H,3-9,12-18,22H2,1-2H3/b11-10+