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

Systemtic Name: 3-(2,2-dibutoxyethyl)-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 3-(2,2-dibutoxyethyl)-6H-benzo[c][1]benzothiepin-11-one CAS Name: 3-(2,2-dibutoxyethyl)-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 3-(2,2-dibutoxyethyl)-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 3-(2,2-dibutoxyethyl)-6H-benzo[c][1]benzothiepin-11-one Formula: C24H30O3S MolecularWeight: 398.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)OCCCC

Isomeric SMILES

CCCCOC(CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)OCCCC

InChI

InChI=1S/C24H30O3S/c1-3-5-13-26-23(27-14-6-4-2)16-18-11-12-21-22(15-18)28-17-19-9-7-8-10-20(19)24(21)25/h7-12,15,23H,3-6,13-14,16-17H2,1-2H3