6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid

Systemtic Name: 6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid Openeye Name: 6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid CAS Name: 6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid IUPAC Name: 6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid Traditional Name: 6-[5-(4-sulfophenoxy)-5,7-dihydrobenzo[d][2]benzazepin-6-yl]hexanoic acid Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=CC=CC=C3C(N1CCCCCC(=O)O)OC4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=CC=CC=C3C(N1CCCCCC(=O)O)OC4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C26H27NO6S/c28-25(29)12-2-1-7-17-27-18-19-8-3-4-9-22(19)23-10-5-6-11-24(23)26(27)33-20-13-15-21(16-14-20)34(30,31)32/h3-6,8-11,13-16,26H,1-2,7,12,17-18H2,(H,28,29)(H,30,31,32)