10-hexyl-3,7-bis(4-nitropyridin-2-yl)phenothiazine

Systemtic Name: 10-hexyl-3,7-bis(4-nitropyridin-2-yl)phenothiazine Openeye Name: 10-hexyl-3,7-bis(4-nitro-2-pyridyl)phenothiazine CAS Name: 10-hexyl-3,7-bis(4-nitro-2-pyridinyl)phenothiazine IUPAC Name: 10-hexyl-3,7-bis(4-nitropyridin-2-yl)phenothiazine Traditional Name: 10-hexyl-3,7-bis(4-nitro-2-pyridyl)phenothiazine Formula: C28H25N5O4S MolecularWeight: 527.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=NC=CC(=C3)[N+](=O)[O-])SC4=C1C=CC(=C4)C5=NC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=NC=CC(=C3)[N+](=O)[O-])SC4=C1C=CC(=C4)C5=NC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25N5O4S/c1-2-3-4-5-14-31-25-8-6-19(23-17-21(32(34)35)10-12-29-23)15-27(25)38-28-16-20(7-9-26(28)31)24-18-22(33(36)37)11-13-30-24/h6-13,15-18H,2-5,14H2,1H3