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(3S,4R)-3-heptyl-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

(3S,4R)-3-heptyl-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name:(3S,4R)-3-heptyl-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid
Openeye Name:(3S,4R)-3-heptyl-1-oxo-isochromane-4-carboxylic acid
CAS Name:(3S,4R)-3-heptyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid
IUPAC Name:(3S,4R)-3-heptyl-1-oxo-3,4-dihydroisochromene-4-carboxylic acid
Traditional Name:(3S,4R)-3-heptyl-1-keto-isochroman-4-carboxylic acid
Formula: C17H22O4
MolecularWeight: 290.35418
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C2=CC=CC=C2C(=O)O1)C(=O)O


Isomeric SMILES

CCCCCCC[C@H]1[C@@H](C2=CC=CC=C2C(=O)O1)C(=O)O


InChI

InChI=1S/C17H22O4/c1-2-3-4-5-6-11-14-15(16(18)19)12-9-7-8-10-13(12)17(20)21-14/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)/t14-,15+/m0/s1


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