sodium 12-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]dodecanoate

Systemtic Name: sodium 12-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]dodecanoate Openeye Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]dodecanoate CAS Name: sodium 12-[[(3,3-diphenyl-8-benzo[f][1]benzopyranyl)-oxomethyl]amino]dodecanoate IUPAC Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]dodecanoate Traditional Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]laurate Formula: C38H40NNaO4 MolecularWeight: 597.71827

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

InChI

InChI=1S/C38H41NO4.Na/c40-36(41)20-14-6-4-2-1-3-5-7-15-27-39-37(42)30-21-23-33-29(28-30)22-24-35-34(33)25-26-38(43-35,31-16-10-8-11-17-31)32-18-12-9-13-19-32;/h8-13,16-19,21-26,28H,1-7,14-15,20,27H2,(H,39,42)(H,40,41);/q;+1/p-1