phenyracillin (7009-88-3)

Identification
Name:	phenyracillin
Synonyms:	phenyracillin
CAS:	7009-88-3
EINECS:	230-290-6
Molecular Formula:	C16H18N2O4S . 1/2C16H18N2
Molecular Weight:	907.121
InChI:	InChI=1/2C16H18N2O4S.C16H18N2/c21-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1
Molecular Structure:
Properties
Density:	1.24 g/cm3
Specification:	Descriptors computed from structure, you can know some information about Phenyracillin [INN:DCF] (CAS NO.7009-88-3) : Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3 Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC= C2)C3=CC=CC=C3 InChI: InChI=1S/2C16H18N2O4S.C16H18N2/c21-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1 InChIKey: IAKOCPCZBRUQBM-ANPZCEIESA-N
Safety Data