3-(1,1-dihexoxypropan-2-yl)-6H-benzo[c][1]benzothiepin-11-one

Systemtic Name: 3-(1,1-dihexoxypropan-2-yl)-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 3-(2,2-dihexoxy-1-methyl-ethyl)-6H-benzo[c][1]benzothiepin-11-one CAS Name: 3-(1,1-dihexoxypropan-2-yl)-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 3-(1,1-dihexoxypropan-2-yl)-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 3-(2,2-dihexoxy-1-methyl-ethyl)-6H-benzo[c][1]benzothiepin-11-one Formula: C29H40O3S MolecularWeight: 468.6911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)OCCCCCC

Isomeric SMILES

CCCCCCOC(C(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)OCCCCCC

InChI

InChI=1S/C29H40O3S/c1-4-6-8-12-18-31-29(32-19-13-9-7-5-2)22(3)23-16-17-26-27(20-23)33-21-24-14-10-11-15-25(24)28(26)30/h10-11,14-17,20,22,29H,4-9,12-13,18-19,21H2,1-3H3