heptyl 6-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: heptyl 6-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanylidene-chromene-3-carboxylate Openeye Name: heptyl 6-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-oxo-chromene-3-carboxylate CAS Name: 6-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxo-1-benzopyran-3-carboxylic acid heptyl ester IUPAC Name: heptyl 6-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxochromene-3-carboxylate Traditional Name: 6-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-keto-chromene-3-carboxylic acid heptyl ester Formula: C29H36O5 MolecularWeight: 464.59314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC2=C(C=CC(=C2)C(CC)C(CC)C3=CC=C(C=C3)O)OC1=O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC2=C(C=CC(=C2)C(CC)C(CC)C3=CC=C(C=C3)O)OC1=O

InChI

InChI=1S/C29H36O5/c1-4-7-8-9-10-17-33-28(31)26-19-22-18-21(13-16-27(22)34-29(26)32)25(6-3)24(5-2)20-11-14-23(30)15-12-20/h11-16,18-19,24-25,30H,4-10,17H2,1-3H3