(6S)-3-chloranyl-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

Systemtic Name: (6S)-3-chloranyl-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Openeye Name: (6S)-3-chloro-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol CAS Name: (6S)-3-chloro-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol IUPAC Name: (6S)-3-chloro-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Traditional Name: (6S)-3-chloro-5-(4-methylcyclohexyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Formula: C21H23ClOS MolecularWeight: 358.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2C(C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CC1CCC(CC1)C2[C@@H](C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C21H23ClOS/c1-13-6-8-14(9-7-13)20-17-12-15(22)10-11-19(17)24-18-5-3-2-4-16(18)21(20)23/h2-5,10-14,20-21,23H,6-9H2,1H3/t13?,14?,20?,21-/m1/s1