6-chloranyl-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one

Systemtic Name: 6-chloranyl-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Openeye Name: 6-chloro-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one CAS Name: 6-chloro-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenylthiochromen-4-one Traditional Name: 6-chloro-3-[(E)-5-(4-nitrophenoxy)-2-[(4-nitrophenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Formula: C33H21ClN2O7S MolecularWeight: 625.04704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=C(S2)C=CC(=C3)Cl)C=C(COC4=CC=C(C=C4)[N+](=O)[O-])C#CCOC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=C(S2)C=CC(=C3)Cl)/C=C(/COC4=CC=C(C=C4)[N+](=O)[O-])\C#CCOC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H21ClN2O7S/c34-24-8-17-31-29(20-24)32(37)30(33(44-31)23-6-2-1-3-7-23)19-22(21-43-28-15-11-26(12-16-28)36(40)41)5-4-18-42-27-13-9-25(10-14-27)35(38)39/h1-3,6-17,19-20H,18,21H2/b22-19+