2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene

Systemtic Name: 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene Openeye Name: 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene CAS Name: 2-[4-[2-(sulfothio)ethylamino]butyl]-9,10-dihydrophenanthrene IUPAC Name: 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene Traditional Name: 2-[4-[2-(sulfothio)ethylamino]butyl]-9,10-dihydrophenanthrene Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCCCNCCSS(=O)(=O)O)C3=CC=CC=C31

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCCCNCCSS(=O)(=O)O)C3=CC=CC=C31

InChI

InChI=1S/C20H25NO3S2/c22-26(23,24)25-14-13-21-12-4-3-5-16-8-11-20-18(15-16)10-9-17-6-1-2-7-19(17)20/h1-2,6-8,11,15,21H,3-5,9-10,12-14H2,(H,22,23,24)