sodium 11-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]undecanoate

Systemtic Name: sodium 11-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]undecanoate Openeye Name: sodium 11-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]undecanoate CAS Name: sodium 11-[[(3,3-diphenyl-7-benzo[f][1]benzopyranyl)-oxomethyl]amino]undecanoate IUPAC Name: sodium 11-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]undecanoate Traditional Name: sodium 11-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]undecanoate Formula: C37H38NNaO4 MolecularWeight: 583.69169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC=C4C(=O)NCCCCCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC=C4C(=O)NCCCCCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C37H39NO4.Na/c39-35(40)22-13-5-3-1-2-4-6-14-27-38-36(41)33-21-15-20-30-31(33)23-24-34-32(30)25-26-37(42-34,28-16-9-7-10-17-28)29-18-11-8-12-19-29;/h7-12,15-21,23-26H,1-6,13-14,22,27H2,(H,38,41)(H,39,40);/q;+1/p-1