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

Systemtic Name: 1,2-bis(2-diethylaminoethyl)fluoranthene-3,9-dicarbothioic S-acid Openeye Name: 1,2-bis(2-diethylaminoethyl)fluoranthene-3,9-dicarbothioic S-acid CAS Name: 1,2-bis(2-diethylaminoethyl)fluoranthene-3,9-dicarbothioic S-acid IUPAC Name: 1,2-bis(2-diethylaminoethyl)fluoranthene-3,9-dicarbothioic S-acid Traditional Name: 1,2-bis(2-diethylaminoethyl)fluoranthene-3,9-dicarbothioic S-acid Formula: C30H36N2O2S2 MolecularWeight: 520.74904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C2C3=C(C=CC(=C3)C(=O)S)C4=CC=CC(=C42)C(=C1CCN(CC)CC)C(=O)S

Isomeric SMILES

CCN(CC)CCC1=C2C3=C(C=CC(=C3)C(=O)S)C4=CC=CC(=C42)C(=C1CCN(CC)CC)C(=O)S

InChI

InChI=1S/C30H36N2O2S2/c1-5-31(6-2)16-14-22-23(15-17-32(7-3)8-4)28(30(34)36)24-11-9-10-21-20-13-12-19(29(33)35)18-25(20)27(22)26(21)24/h9-13,18H,5-8,14-17H2,1-4H3,(H,33,35)(H,34,36)