2,2-bis(2-ethylhexyl)decanedioate; 10H-phenothiazine

Systemtic Name: 2,2-bis(2-ethylhexyl)decanedioate; 10H-phenothiazine Openeye Name: 2,2-bis(2-ethylhexyl)decanedioate; 10H-phenothiazine CAS Name: 2,2-bis(2-ethylhexyl)decanedioate; 10H-phenothiazine IUPAC Name: 2,2-bis(2-ethylhexyl)decanedioate; 10H-phenothiazine Traditional Name: 2,2-bis(2-ethylhexyl)sebacate; 10H-phenothiazine Formula: C38H57NO4S-2 MolecularWeight: 623.92848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CCCCCCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-].C1=CC=C2C(=C1)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC(CC)CC(CCCCCCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-].C1=CC=C2C(=C1)NC3=CC=CC=C3S2

InChI

InChI=1S/C26H50O4.C12H9NS/c1-5-9-16-22(7-3)20-26(25(29)30,21-23(8-4)17-10-6-2)19-15-13-11-12-14-18-24(27)28;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h22-23H,5-21H2,1-4H3,(H,27,28)(H,29,30);1-8,13H/p-2