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

Systemtic Name: sodium 7-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]heptanoate Openeye Name: sodium 7-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]heptanoate CAS Name: sodium 7-[[(3,3-diphenyl-7-benzo[f][1]benzopyranyl)-oxomethyl]amino]heptanoate IUPAC Name: sodium 7-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]heptanoate Traditional Name: sodium 7-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]enanthate Formula: C33H30NNaO4 MolecularWeight: 527.58537

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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)NCCCCCCC(=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)NCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C33H31NO4.Na/c35-31(36)18-9-1-2-10-23-34-32(37)29-17-11-16-26-27(29)19-20-30-28(26)21-22-33(38-30,24-12-5-3-6-13-24)25-14-7-4-8-15-25;/h3-8,11-17,19-22H,1-2,9-10,18,23H2,(H,34,37)(H,35,36);/q;+1/p-1