2-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid Openeye Name: 2-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-5-oxo-1H-pyrazole-4-carboxylic acid CAS Name: 2-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-5-oxo-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-5-oxo-1H-pyrazole-4-carboxylic acid Traditional Name: 1-[(5S,6R)-5,6-bis(4-hydroxyphenyl)octyl]-3-keto-3-pyrazoline-4-carboxylic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CCCCN2C=C(C(=O)N2)C(=O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)O)[C@H](CCCCN2C=C(C(=O)N2)C(=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C24H28N2O5/c1-2-20(16-6-10-18(27)11-7-16)21(17-8-12-19(28)13-9-17)5-3-4-14-26-15-22(24(30)31)23(29)25-26/h6-13,15,20-21,27-28H,2-5,14H2,1H3,(H,25,29)(H,30,31)/t20-,21+/m0/s1