6,7-bis(oxidanyl)undec-4-ynyl benzoate

Systemtic Name: 6,7-bis(oxidanyl)undec-4-ynyl benzoate Openeye Name: 6,7-dihydroxyundec-4-ynyl benzoate CAS Name: benzoic acid 6,7-dihydroxyundec-4-ynyl ester IUPAC Name: 6,7-dihydroxyundec-4-ynyl benzoate Traditional Name: benzoic acid 6,7-dihydroxyundec-4-ynyl ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#CCCCOC(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

CCCCC(C(C#CCCCOC(=O)C1=CC=CC=C1)O)O

InChI

InChI=1S/C18H24O4/c1-2-3-12-16(19)17(20)13-8-5-9-14-22-18(21)15-10-6-4-7-11-15/h4,6-7,10-11,16-17,19-20H,2-3,5,9,12,14H2,1H3