2-[6-decylsulfanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-decylsulfanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(6-decylsulfanyl-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-[6-(decylthio)-1,3-dioxo-2-benzo[de]isoquinolinyl]acetic acid IUPAC Name: 2-(6-decylsulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-[6-(decylthio)-1,3-diketo-benzo[de]isoquinolin-2-yl]acetic acid Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CC(=O)O

InChI

InChI=1S/C24H29NO4S/c1-2-3-4-5-6-7-8-9-15-30-20-14-13-19-22-17(20)11-10-12-18(22)23(28)25(24(19)29)16-21(26)27/h10-14H,2-9,15-16H2,1H3,(H,26,27)