2-[(6-methoxy-7-oxidanyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-chloranylbenzenesulfonate

Systemtic Name: 2-[(6-methoxy-7-oxidanyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-chloranylbenzenesulfonate Openeye Name: 2-[(7-hydroxy-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 2-[(7-hydroxy-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(7-hydroxy-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 2-[(7-hydroxy-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester Formula: C20H23ClO6S2 MolecularWeight: 458.97602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1CCCSC2COCCOS(=O)(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C=CC2=C1CCCSC2COCCOS(=O)(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H23ClO6S2/c1-25-20-17-3-2-12-28-19(16(17)8-9-18(20)22)13-26-10-11-27-29(23,24)15-6-4-14(21)5-7-15/h4-9,19,22H,2-3,10-13H2,1H3