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2-[6-ethyl-3-(4-ethylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]ethanoate

2-[6-ethyl-3-(4-ethylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]ethanoate

Systemtic Name:2-[6-ethyl-3-(4-ethylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]ethanoate
Openeye Name:2-[6-ethyl-3-(4-ethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]acetate
CAS Name:2-[6-ethyl-3-(4-ethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-yl]acetate
IUPAC Name:2-[6-ethyl-3-(4-ethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]acetate
Traditional Name:2-[6-ethyl-3-(4-ethylphenoxy)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-2-yl]acetate
Formula: C21H23O6-
MolecularWeight: 371.40372
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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)CC(=O)[O-])OC3=CC=C(C=C3)CC)O


Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)CC(=O)[O-])OC3=CC=C(C=C3)CC)O


InChI

InChI=1S/C21H24O6/c1-3-12-5-7-14(8-6-12)26-21-18(11-19(23)24)27-17-10-16(22)13(4-2)9-15(17)20(21)25/h5-8,13,17,25H,3-4,9-11H2,1-2H3,(H,23,24)/p-1


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