[(3R)-12-(chloromethyl)-3-ethanoyl-3-oxidanyl-2,4-dihydro-1H-tetracen-5-yl] ethanoate

Systemtic Name: [(3R)-12-(chloromethyl)-3-ethanoyl-3-oxidanyl-2,4-dihydro-1H-tetracen-5-yl] ethanoate Openeye Name: [(3R)-3-acetyl-12-(chloromethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] acetate CAS Name: acetic acid [(3R)-3-acetyl-12-(chloromethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] ester IUPAC Name: [(3R)-3-acetyl-12-(chloromethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] acetate Traditional Name: acetic acid [(3R)-3-acetyl-12-(chloromethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] ester Formula: C23H21ClO4 MolecularWeight: 396.86344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C1)OC(=O)C)CCl)O

Isomeric SMILES

CC(=O)[C@]1(CCC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C1)OC(=O)C)CCl)O

InChI

InChI=1S/C23H21ClO4/c1-13(25)23(27)8-7-17-20(11-23)22(28-14(2)26)19-10-16-6-4-3-5-15(16)9-18(19)21(17)12-24/h3-6,9-10,27H,7-8,11-12H2,1-2H3/t23-/m1/s1