1-(2-chloroethyloxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol

Systemtic Name: 1-(2-chloroethyloxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol Openeye Name: 1-(2-chloroethoxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol CAS Name: 1-(2-chloroethoxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepin-7,8-diol IUPAC Name: 1-(2-chloroethoxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol Traditional Name: 1-(2-chloroethoxymethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepin-7,8-diol Formula: C16H23ClO3S MolecularWeight: 330.87002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCSC(C2=CC(=C(C=C12)O)O)COCCCl

Isomeric SMILES

CCCC1CCSC(C2=CC(=C(C=C12)O)O)COCCCl

InChI

InChI=1S/C16H23ClO3S/c1-2-3-11-4-7-21-16(10-20-6-5-17)13-9-15(19)14(18)8-12(11)13/h8-9,11,16,18-19H,2-7,10H2,1H3