2-[7-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-chromen-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-chromen-4-yl]ethanoic acid Openeye Name: 2-[7-[(E)-octadec-9-enoyl]oxy-2-oxo-chromen-4-yl]acetic acid CAS Name: 2-[2-oxo-7-[(E)-1-oxooctadec-9-enoxy]-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[7-[(E)-octadec-9-enoyl]oxy-2-oxochromen-4-yl]acetic acid Traditional Name: 2-[2-keto-7-[(E)-octadec-9-enoyl]oxy-chromen-4-yl]acetic acid Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O

InChI

InChI=1S/C29H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)34-24-18-19-25-23(20-27(30)31)21-29(33)35-26(25)22-24/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3,(H,30,31)/b10-9+