1,2-bis(2-piperidin-1-ylethyl)fluoranthene-3,9-dicarbothioic S-acid

Systemtic Name: 1,2-bis(2-piperidin-1-ylethyl)fluoranthene-3,9-dicarbothioic S-acid Openeye Name: 1,2-bis[2-(1-piperidyl)ethyl]fluoranthene-3,9-dicarbothioic S-acid CAS Name: 1,2-bis[2-(1-piperidinyl)ethyl]fluoranthene-3,9-dicarbothioic S-acid IUPAC Name: 1,2-bis(2-piperidin-1-ylethyl)fluoranthene-3,9-dicarbothioic S-acid Traditional Name: 1,2-bis(2-piperidinoethyl)fluoranthene-3,9-dicarbothioic S-acid Formula: C32H36N2O2S2 MolecularWeight: 544.77044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=C3C4=C(C=CC(=C4)C(=O)S)C5=CC=CC(=C53)C(=C2CCN6CCCCC6)C(=O)S

Isomeric SMILES

C1CCN(CC1)CCC2=C3C4=C(C=CC(=C4)C(=O)S)C5=CC=CC(=C53)C(=C2CCN6CCCCC6)C(=O)S

InChI

InChI=1S/C32H36N2O2S2/c35-31(37)21-10-11-22-23-8-7-9-26-28(23)29(27(22)20-21)24(12-18-33-14-3-1-4-15-33)25(30(26)32(36)38)13-19-34-16-5-2-6-17-34/h7-11,20H,1-6,12-19H2,(H,35,37)(H,36,38)