[3-Chloro-10a-(3,7-dimethylocta-2,6-dienyl)-8-hydroxy-2,2,4a-trimethyl-5,6,10-trioxo-3,4-dihydrobenzo[g]chromen-9-ylidene]-iminoazanium

AlkaPlorer ID: AK565463

Synonym: None

IUPAC Name: [3-chloro-10a-(3,7-dimethylocta-2,6-dienyl)-8-hydroxy-2,2,4a-trimethyl-5,6,10-trioxo-3,4-dihydrobenzo[g]chromen-9-ylidene]-iminoazanium

Structure

SMILES: CC(C)=CCCC(C)=CCC12OC(C)(C)C(Cl)CC1(C)C(=O)C1=C(C2=O)C(=[N+]=N)C(=O)C=C1O

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InChI: InChI=1S/C26H31ClN2O5/c1-14(2)8-7-9-15(3)10-11-26-23(33)20-19(16(30)12-17(31)21(20)29-28)22(32)25(26,6)13-18(27)24(4,5)34-26/h8,10,12,18,28H,7,9,11,13H2,1-6H3/p+1

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InChIKey: WYRLRXDPQOVTJK-UHFFFAOYSA-O

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Properties Information

Molecule Weight: 488.0040000000003

TPSA: 118.62000000000002

MolLogP: 4.7737700000000025

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information