3-methyl-2-[(4S)-4-methyl-1-oxidanyl-hex-2-ynyl]-1,8-di(propan-2-yloxy)anthracene-9,10-dione

Systemtic Name: 3-methyl-2-[(4S)-4-methyl-1-oxidanyl-hex-2-ynyl]-1,8-di(propan-2-yloxy)anthracene-9,10-dione Openeye Name: 2-[(4S)-1-hydroxy-4-methyl-hex-2-ynyl]-1,8-diisopropoxy-3-methyl-anthracene-9,10-dione CAS Name: 2-[(4S)-1-hydroxy-4-methylhex-2-ynyl]-3-methyl-1,8-di(propan-2-yloxy)anthracene-9,10-dione IUPAC Name: 2-[(4S)-1-hydroxy-4-methylhex-2-ynyl]-3-methyl-1,8-di(propan-2-yloxy)anthracene-9,10-dione Traditional Name: 2-[(4S)-1-hydroxy-4-methyl-hex-2-ynyl]-1,8-diisopropoxy-3-methyl-9,10-anthraquinone Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C#CC(C1=C(C=C2C(=C1OC(C)C)C(=O)C3=C(C2=O)C=CC=C3OC(C)C)C)O

Isomeric SMILES

CC[C@H](C)C#CC(C1=C(C=C2C(=C1OC(C)C)C(=O)C3=C(C2=O)C=CC=C3OC(C)C)C)O

InChI

InChI=1S/C28H32O5/c1-8-17(6)12-13-21(29)23-18(7)14-20-25(28(23)33-16(4)5)27(31)24-19(26(20)30)10-9-11-22(24)32-15(2)3/h9-11,14-17,21,29H,8H2,1-7H3/t17-,21?/m0/s1