sodium 12-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]dodecanoate

Systemtic Name: sodium 12-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]dodecanoate Openeye Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]dodecanoate CAS Name: sodium 12-[[(3,3-diphenyl-7-benzo[f][1]benzopyranyl)-oxomethyl]amino]dodecanoate IUPAC Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]dodecanoate Traditional Name: sodium 12-[(3,3-diphenylbenzo[f]chromene-7-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=C4C(=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=C4C(=O)NCCCCCCCCCCCC(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

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