2-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylazaniumyl]hexanoate

Systemtic Name: 2-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylazaniumyl]hexanoate Openeye Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylammonio]hexanoate CAS Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-4-yl)methylammonio]hexanoate IUPAC Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylazaniumyl]hexanoate Traditional Name: 2-[(3-hydroxy-6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylammonio]hexanoate Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

Isomeric SMILES

CCCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

InChI

InChI=1S/C20H25NO5/c1-2-3-8-16(19(23)24)21-11-15-17(22)10-9-13-12-6-4-5-7-14(12)20(25)26-18(13)15/h9-10,16,21-22H,2-8,11H2,1H3,(H,23,24)