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

Systemtic Name: 3-(1-oxidanylpentadecan-2-yl)-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 3-[1-(hydroxymethyl)tetradecyl]-6H-benzo[c][1]benzothiepin-11-one CAS Name: 3-(1-hydroxypentadecan-2-yl)-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 3-(1-hydroxypentadecan-2-yl)-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 3-(1-methyloltetradecyl)-6H-benzo[c][1]benzothiepin-11-one Formula: C29H40O2S MolecularWeight: 452.6917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CO)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCCCCCCCCCCCC(CO)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C29H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-24(21-30)23-18-19-27-28(20-23)32-22-25-16-13-14-17-26(25)29(27)31/h13-14,16-20,24,30H,2-12,15,21-22H2,1H3