sodium 8-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]octanoate

Systemtic Name: sodium 8-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]octanoate Openeye Name: sodium 8-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]octanoate CAS Name: sodium 8-[[(3,3-diphenyl-8-benzo[f][1]benzopyranyl)-oxomethyl]amino]octanoate IUPAC Name: sodium 8-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]octanoate Traditional Name: sodium 8-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]caprylate Formula: C34H32NNaO4 MolecularWeight: 541.61195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC(=C4)C(=O)NCCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC(=C4)C(=O)NCCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C34H33NO4.Na/c36-32(37)16-10-2-1-3-11-23-35-33(38)26-17-19-29-25(24-26)18-20-31-30(29)21-22-34(39-31,27-12-6-4-7-13-27)28-14-8-5-9-15-28;/h4-9,12-15,17-22,24H,1-3,10-11,16,23H2,(H,35,38)(H,36,37);/q;+1/p-1